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Article

Abouelamaiem, DI; He, G; Neville, TP; Patel, D; Ji, S; Wang, R; Parkin, IP; ... Brett, DJL; + view all (2018) Correlating electrochemical impedance with hierarchical structure for porous carbon-based supercapacitors using a truncated transmission line model. Electrochimica Acta , 284 pp. 597-608. 10.1016/j.electacta.2018.07.190. Green open access
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Abouelamaiem, DI; He, G; Parkin, I; Neville, TP; Jorge, AB; Ji, S; Wang, R; ... Brett, DJL; + view all (2018) Synergistic relationship between the three-dimensional nanostructure and electrochemical performance in biocarbon supercapacitor electrode materials. Sustainable Energy & Fuels , 2 (4) pp. 772-785. 10.1039/c7se00519a. Green open access
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Abouelamaiem, DI; Rasha, L; He, G; Neville, TP; Millichamp, J; Mason, TJ; Jorge, AB; ... Brett, DJL; + view all (2018) Integration of supercapacitors into printed circuit boards. Journal of Energy Storage , 19 pp. 28-34. 10.1016/j.est.2018.06.016. Green open access
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Abraham, MH; Acree, WE; Liu, X; (2018) Partition of Neutral Molecules and Ions from Water to o-Nitrophenyl Octyl Ether and of Neutral Molecules from the Gas Phase to o-Nitrophenyl Octyl Ether. Journal of Solution Chemistry , 47 (2) pp. 293-307. 10.1007/s10953-018-0717-0. Green open access
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Acosta-Gutierrez, S; Ferrara, L; Pathania, M; Masi, M; Wang, J; Bodrenko, I; Zahn, M; ... Ceccarelli, M; + view all (2018) Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins. ACS Infectious Diseases , 4 (10) pp. 1487-1498. 10.1021/acsinfecdis.8b00108. Green open access
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Adjogatse, E; Erskine, P; Wells, SA; Kelly, JM; Wilden, JD; Chan, AWE; Selwood, D; ... Cooper, JB; + view all (2018) Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallographica Section D: Structural Biology , 74 (9) pp. 861-876. 10.1107/S2059798318009208. Green open access
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Agote-Arán, M; Kroner, AB; Islam, HU; Sławiński, WA; Wragg, DS; Lezcano-González, I; Beale, AM; (2018) Determination of Molybdenum Species Evolution during Non-Oxidative Dehydroaromatization of Methane and its Implications for Catalytic Performance. ChemCatChem 10.1002/cctc.201801299. Green open access
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Aliev, A; Anderson, JC; Corpinot, MK; Gascoigne, ESJ; (2018) Radical cyclisation studies of β-nitroamines from the nitro-Mannich reaction. Tetrahedron , 74 (38) pp. 5458-5474. 10.1016/j.tet.2018.06.022. Green open access
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Aliev, AE; Bartók, AP; Yates, JR; (2018) Tin chemical shift anisotropy in tin dioxide: On ambiguity of CSA asymmetry derived from MAS spectra. Solid State Nuclear Magnetic Resonance , 89 pp. 1-10. 10.1016/j.ssnmr.2017.11.002. Green open access
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Alotaibi, AM; Sathasivam, S; Williamson, BAD; Kafizas, A; Sotelo-Vazquez, C; Taylor, A; Scanlon, DO; (2018) Chemical Vapor Deposition of Photocatalytically Active Pure Brookite TiO2 Thin Films. Chemistry of Materials , 30 (4) pp. 1353-1361. 10.1021/acs.chemmater.7b04944. Green open access
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Alqahtani, M; Sathasivam, S; Alhassan, A; Cui, F; Benjaber, S; Blackman, C; Zhang, B; ... Wu, J; + view all (2018) InGaN/GaN Multiple Quantum Well Photoanode Modified with Cobalt Oxide for Water Oxidation. ACS Applied Energy Materials , 1 (11) pp. 6417-6424. 10.1021/acsaem.8b01387. Green open access
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Ambroz, F; Macdonald, T; Martis, V; Parkin, I; (2018) Evaluation of the BET Theory for the Characterization of Meso and Microporous MOFs. Small Methods , 2 (11) , Article 1800173. 10.1002/smtd.201800173. Green open access
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Aniagyei, A; Dzade, NY; Tia, R; Adei, E; Catlow, CRA; De Leeuw, NH; (2018) Ab initio investigation of O₂ adsorption on Ca-doped LaMnO₃ cathodes in solid oxide fuel cells. Physical Chemistry Chemical Physics , 20 (45) pp. 28685-28698. 10.1039/c8cp02137f. Green open access
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Arce-Molina, J; Grau-Crespo, R; Lewis, DW; Rabdel Ruiz-Salvador, A; (2018) Screening heteroatom distributions in zeotype materials using an effective Hamiltonian approach: the case of aluminogermanate PKU-9. Physical Chemistry Chemical Physics , 20 (26) pp. 18047-18055. 10.1039/c8cp01369a. Green open access
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Armer, CF; Lübke, M; Johnson, I; McColl, K; Cora, F; Yeoh, JS; Reddy, MV; ... Lowe, A; + view all (2018) Enhanced Electrochemical Performance of Electrospun V2O5 Fibres Doped With Redox-inactive Metals. Journal of Solid State Electrochemistry , 22 (12) pp. 3703-3716. 10.1007/s10008-018-4055-3. Green open access
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Arnott, PM; Joshi, H; Aksimentiev, A; Howorka, S; (2018) Dynamic Interactions between Lipid-Tethered DNA and Phospholipid Membranes. Langmuir , 34 (39) pp. 15084-15092. 10.1021/acs.langmuir.8b02271. Green open access
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Attanzio, A; Rosillo-Lopez, M; Zampetti, A; Ierides, I; Cacialli, F; Salzmann, CG; Palma, M; (2018) Assembly of graphene nanoflake–quantum dot hybrids in aqueous solution and their performance in light-harvesting applications. Nanoscale , 10 (42) pp. 19678-19683. 10.1039/c8nr06746e. Green open access
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Azevedo, C; Singh, J; Steck, N; Hofer, A; Ruiz, FA; Singh, T; Jessen, HJ; (2018) Screening a Protein Array with Synthetic Biotinylated Inorganic Polyphosphate To Define the Human PolyP-ome. ACS Chemical Biology , 13 (8) pp. 1958-1963. 10.1021/acschembio.8b00357. Green open access
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Bahou, C; Richards, DA; Maruani, A; Love, EA; Javaid, F; Caddick, S; Baker, JR; (2018) Highly homogeneous antibody modification through optimisation of the synthesis and conjugation of functionalised dibromopyridazinediones. Organic & Biomolecular Chemistry , 16 (8) pp. 1359-1366. 10.1039/c7ob03138f. Green open access
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Bakewell, C; Ward, BJ; White, AJP; Crimmin, MR; (2018) A combined experimental and computational study on the reaction of fluoroarenes with Mg–Mg, Mg–Zn, Mg–Al and Al–Zn bonds. Chemical Science , 9 (8) pp. 2348-2356. 10.1039/C7SC05059C. Green open access
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Bakewell, C; White, AJP; Crimmin, MR; (2018) Reactions of Fluoroalkenes with an Aluminium(I) Complex. Angewandte Chemie International Edition , 57 (22) pp. 6638-6642. 10.1002/anie.201802321. Green open access
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Bashian, NH; Zhou, S; Zuba, M; Ganose, AM; Stiles, JW; Ee, A; Ashby, DS; ... Melot, BC; + view all (2018) Correlated Polyhedral Rotations in the Absence of Polarons during Electrochemical Insertion of Lithium in ReO₃. ACS Energy Letters , 3 (10) pp. 2513-2519. 10.1021/acsenergylett.8b01179. Green open access
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Bauer, D; Roberts, AJ; Patnaik, SG; Brett, DJL; Shearing, PR; Kendrick, E; Matsumi, N; (2018) High power sodium-ion batteries and hybrid electrochemical capacitors using Mo or Nb-doped nano-titania anodes. Journal of the Electrochemical Society , 165 (9) A1662-A1670. 10.1149/2.0341809jes. Green open access
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Bauer, D; Roberts, AJ; Starkey, CL; Vedarajan, R; Brett, DJL; Shearing, PR; Matsumi, N; (2018) TiO2/MoO2 Nanocomposite as Anode Materials for High Power Li-ion Batteries with Exceptional Capacity. International Journal of Electrochemical Science , 13 (5) pp. 5120-5140. 10.20964/2018.05.37. Green open access
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Bawn, M; Subrizi, F; Lye, GJ; Sheppard, TD; Hailes, HC; Ward, JM; (2018) Data on a thermostable enzymatic one-pot reaction for the production of a high-value compound from L-arabinose. Data in Brief , 19 pp. 1341-1354. 10.1016/j.dib.2018.05.140. Green open access
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Bawn, M; Subrizi, F; Lye, GJ; Sheppard, TD; Hailes, HC; Ward, JM; (2018) One-pot, two-step transaminase and transketolase synthesis of L-gluco-heptulose from L-arabinose. Enzyme and Microbial Technology , 116 pp. 16-22. 10.1016/j.enzmictec.2018.05.006. Green open access
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Begum, S; Chowdhury, A; Ghosh, S; Tocher, DA; Richmond, M; Yang, L; Hardcastle, K; ... Kabir, S; + view all (2018) Experimental and computational preference for phosphine regioselectivity and stereoselective tripodal rotation in HOs3(CO)8(PPh3)2(μ-1,2-N,C-η1,κ1-C7H4NS). RSC Advances , 57 (8) , Article 32672. 10.1039/C8RA07400C. Green open access
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Begum, S; Chowdhury, A; Ghosh, S; Tocher, DA; Rosenberg, E; Hardcastle, K; Kabir, S; (2018) Reaction of electron-deficient 6-methoxyquinolinate-substituted cluster [Os3(CO)9{μ3-η1,κ1-C9H5N(6-OMe)}(μ-H)] with PPh3: Thermally induced ligand isomerization, decarbonylation and orthometallation. Inorganica Chimica Acta , 478 pp. 25-31. 10.1016/j.ica.2018.03.045. Green open access
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Bernabeu, MO; Jones, ML; Nash, RW; Pezzarossa, A; Coveney, PV; Gerhardt, H; Franco, CA; (2018) PolNet: A Tool to Quantify Network-Level Cell Polarity and Blood Flow in Vascular Remodeling. Biophysical Journal , 114 (9) pp. 2052-2058. 10.1016/j.bpj.2018.03.032. Green open access
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Bhati, AP; Wan, S; Coveney, PV; (2018) Ensemble-based replica exchange alchemical free energy methods: the effect of protein mutations on inhibitor binding. Journal of Chemical Theory and Computation 10.1021/acs.jctc.8b01118. (In press). Green open access
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Bhati, AP; Wan, S; Hu, Y; Sherborne, B; Coveney, PV; (2018) Uncertainty Quantification in Alchemical Free Energy Methods. Journal of Chemical Theory and Computation , 14 (6) pp. 2867-2880. 10.1021/acs.jctc.7b01143. Green open access
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Birkett, M; Savory, CN; Rajpalke, MK; Linhart, WM; Whittles, TJ; Gibbon, JT; Welch, AW; ... Veal, TD; + view all (2018) Band gap temperature-dependence and exciton-like state in copper antimony sulphide, CuSbS2. APL Materials , 6 (8) , Article 084904. 10.1063/1.5030207. Green open access
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Birkholz, O; Burns, JR; Richter, CP; Psathaki, OE; Howorka, S; Piehler, J; (2018) Multi-functional DNA nanostructures that puncture and remodel lipid membranes into hybrid materials. Nature Communications , 9 , Article 1521. 10.1038/s41467-018-02905-w. Green open access
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Blunt, MO; Hu, Y; Toft, CW; Slater, AG; Lewis, W; Champness, NR; (2018) Controlling the Two-Dimensional Self-Assembly of Functionalized Porphyrins via Adenine-Thymine Quartet Formation. The Journal of Physical Chemistry C , 122 (45) pp. 26070-26079. 10.1021/acs.jpcc.8b08888. Green open access
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Bofinger, R; Zaw-Thin, M; Mitchell, NJ; Patrick, PS; Stowe, C; Gomez-Ramirez, A; Hailes, HC; ... Tabor, AB; + view all (2018) Development of Lipopolyplexes for Gene Delivery: a Comparison of the Effects of Differing Modes of Targeting Peptide Display on the Structure and Transfection Activities of Lipopolyplexes. Journal of Peptide Science , 24 (12) , Article e3131. 10.1002/psc.3131. Green open access
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Boldrin, D; Fak, B; Canevet, E; Ollivier, J; Walker, HC; Manuel, P; Khalyavin, DD; (2018) Vesignieite: An S=1/2 Kagome Antiferromagnet with Dominant Third-Neighbor Exchange. Physical Review Letters , 121 (10) 10.1103/PhysRevLett.121.107203. Green open access
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Bolotov, VA; Kovalenko, KA; Samsonenko, DG; Han, X; Zhang, X; Smith, GL; M'Cormick, LJ; ... Schroder, M; + view all (2018) Enhancement of CO2 Uptake and Selectivity in a Metal-Organic Framework by the Incorporation of Thiophene Functionality. Inorganic Chemistry , 57 (9) pp. 5074-5082. 10.1021/acs.inorgchem.8b00138. Green open access
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Borgatti, F; Berger, JA; Ceolin, D; Zhou, JS; Kas, JJ; Guzzo, M; McConville, CF; ... Egdell, RG; + view all (2018) Revisiting the origin of satellites in core-level photoemission of transparent conducting oxides: The case of &ITn&IT-doped SnO2. Physical Review B , 97 (15) , Article 155102. 10.1103/PhysRevB.97.155102. Green open access
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Boulanger, DSM; Eccleston, RC; Phillips, A; Coveney, P; Elliott, T; Dalchau, N; (2018) A Mechanistic Model for Predicting Cell Surface Presentation of Competing Peptides by MHC Class I Molecules. Frontiers in Immunology , 9 , Article 1538. 10.3389/fimmu.2018.01538. Green open access
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Boutry,, CM; Kaizawa, Y; Schroeder, BC; Chortos, A; Legrand, A; Wang, Z; Chang, J; ... Bao, Z; + view all (2018) A stretchable and biodegradable strain and pressure sensor for orthopaedic application. Nature Electronics , 1 pp. 314-321. 10.1038/s41928-018-0071-7. Green open access
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Buckeridge, J; Catlow, CRA; Farrow, MR; Logsdail, AJ; Scanlon, DO; Keal, TW; Sherwood, P; ... Walsh, A; + view all (2018) Deep vs shallow nature of oxygen vacancies and consequent n-type carrier concentrations in transparent conducting oxides. Physical Review Materials , 2 (5) , Article 054604. 10.1103/PhysRevMaterials.2.054604. Green open access
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Burns, JR; Howorka, S; (2018) Defined Bilayer Interactions of DNA Nanopores Revealed with a Nuclease-Based Nanoprobe Strategy. ACS Nano , 12 (4) pp. 3263-3271. 10.1021/acsnano.7b07835. Green open access
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Burns, JR; Lamarre, B; Pyne, ALB; Noble, JE; Ryadnov, MG; (2018) DNA Origami Inside-Out Viruses. ACS Synthetic Biology , 7 (3) pp. 767-773. Green open access
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Callison, J; Subramanian, ND; Rogers, SM; Chutia, A; Gianolio, D; Catlow, CRA; Wells, PP; (2018) Directed aqueous-phase reforming of glycerol through tailored platinum nanoparticles. Applied Catalysis B: Environmental , 238 pp. 618-628. 10.1016/j.apcatb.2018.07.008. Green open access
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Camps, P; Lozano, D; Barbaraci, C; Font-Bardia, M; Javier Luque, F; Estarellas, C; (2018) Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene. The Journal of Organic Chemistry , 83 (10) pp. 5420-5430. 10.1021/acs.joc.8b00212. Green open access
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Caruana, DJ; Calleja, M; Elahi, A; (2018) Gas Phase Electrochemical Analysis of Amino Acids and their Fragments. Communications Chemistry , 1 , Article 48. 10.1038/s42004-018-0046-7. Green open access
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Case, DH; Srirambhatla, VK; Guo, R; Watson, RE; Price, LS; Polyzois, H; Cockcroft, JK; ... Price, SL; + view all (2018) Successful computationally-directed templating of metastable pharmaceutical polymorphs. Crystal Growth and Design , 18 (9) pp. 5322-5331. 10.1021/acs.cgd.8b00765. Green open access
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Catlow, CRA; (2018) The structural science of functional materials. [Editorial comment]. IUCrJ , 5 (1) 10.1107/S2052252517018474. Green open access
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Cavaye, H; Roberts, E; Salzmann, CG; Senesi, R; Fernandez-Alonso, F; (2018) Molecular Spectroscopy Science Meeting–MSSM2018. Neutron News , 29 (3-4) pp. 13-15. 10.1080/10448632.2018.1557969. Green open access
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Chaisiwamongkhol, K; Batchelor-McAuley, C; Palgrave, RG; Compton, RG; (2018) Singlet Oxygen and the Origin of Oxygen Functionalities on the Surface of Carbon Electrodes. Angewandte Chemie International Edition , 57 (21) 10.1002/anie.201803164. Green open access
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Chay, SK; Keating, AV; James, C; Aliev, A; Haider, S; Craig, DQM; (2018) Evaluation of the taste-masking effects of (2-hydroxypropyl)-β-cyclodextrin on ranitidine hydrochloride; a combined biosensor, spectroscopic and molecular modelling assessment. RSC Advances (8) pp. 3564-3573. 10.1039/C7RA11015D. Green open access
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Cheng, MHY; Maruani, A; Savoie, H; Chudasama, V; Boyle, RW; (2018) Synthesis of a novel HER2 targeted aza-BODIPY-antibody conjugate: synthesis, photophysical characterisation and in vitro evaluation. Organic & Biomolecular Chemistry , 16 (7) pp. 1144-1149. 10.1039/c7ob02957h. Green open access
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Chidchob, P; Offenbartl-Stiegert, D; McCarthy, D; Luo, X; Li, J; Howorka, S; Sleiman, HF; (2018) Spatial presentation of cholesterol units on a DNA cube as a determinant of membrane protein-mimicking functions. Journal of the American Chemical Society , 141 (2) pp. 1100-1108. 10.1021/jacs.8b11898. Green open access
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Chudasama, V; (2018) Antibody - Drug conjugates (ADC) - Drug discovery today: Technologies. [Editorial comment]. Drug Discovery Today - Technologies , 30 pp. 1-2. 10.1016/j.ddtec.2018.11.003. Green open access
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Chutia, A; Willock, DJ; Catlow, CRA; (2018) The electronic properties of Au clusters on CeO2 (110) surface with and without O-defects. Faraday Discussions , 208 pp. 123-145. 10.1039/c8fd00002f. Green open access
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Clancy, AJ; Bayazit, MK; Hodge, SA; Skipper, NT; Howard, CA; Shaffer, MSP; (2018) Charged Carbon Nanomaterials: Redox Chemistries of Fullerenes, Carbon Nanotubes, and Graphenes. Chemical Reviews , 118 (16) pp. 7363-7408. 10.1021/acs.chemrev.8b00128. Green open access
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Clancy, ARJ; Leese, H; Rubio, N; Buckley, D; Greenfield, J; Shaffer, M; (2018) Depleting Depletion: Maintaining Single-Walled Carbon Nanotube Dispersions after Graft-to Polymer Functionalization. Langmuir , 34 (50) pp. 15396-153402. 10.1021/acs.langmuir.8b03144. Green open access
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Coates, CS; Makepeace, JW; Seel, AG; Baise, M; Slater, B; Goodwin, AL; (2018) Synthesis, PtS-type structure, and anomalous mechanics of the Cd(CN)₂ precursor Cd(NH₃)₂[Cd(CN)₄]. Dalton Transactions , 47 (21) pp. 7263-7271. 10.1039/c8dt01128a. Green open access
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Cockcroft, JK; Rosu-Finsen, A; Fitch, AN; Williams, JH; (2018) The temperature dependence of C-H⋯F-C interactions in benzene:hexafluorobenzene. CrystEngComm , 20 (42) pp. 6677-6682. 10.1039/c8ce01187g. Green open access
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Comitani, F; Gervasio, FL; (2018) Exploring Cryptic Pockets Formation in Targets of Pharmaceutical Interest with SWISH. Journal of Chemical Theory and Computation , 14 (6) pp. 3321-3331. 10.1021/acs.jctc.8b00263. Green open access
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Connolly, ET; Reeves, P; Boldrin, D; Wills, AS; (2018) Synthesis, structure and magnetism of the new S=1 kagome magnet NH4Ni2.5V2O7(OH)(2) center dot H2O. Journal of Physics: Condensed Matter , 30 (2) 10.1088/1361-648X/aa9d64. Green open access
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Contini, C; Pearson, R; Wang, L; Messager, L; Gaitzsch, J; Rizzello, L; Ruiz-Perez, L; (2018) Bottom-Up Evolution of Vesicles from Disks to High-Genus Polymersomes. iScience , 7 pp. 132-144. 10.1016/j.isci.2018.08.018. Green open access
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Corby, S; Francas, L; Selim, S; Sachs, M; Blackman, C; Kafizas, A; Durrant, JR; (2018) Water Oxidation and Electron Extraction Kinetics in Nanostructured Tungsten Trioxide Photoanodes. Journal of the American Chemical Society , 140 (47) pp. 16168-16177. 10.1021/jacs.8b08852. Green open access
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Dakka, J; Turilli, M; Wright, DW; Zasada, SJ; Balasubramanian, V; Wan, S; Coveney, PV; (2018) High-throughput binding affinity calculations at extreme scales. BMC Bioinformatics , 19 (Suppl 18) , Article 482. 10.1186/s12859-018-2506-6. Green open access
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Daniels, LM; Ling, S; Savvin, SN; Pitcher, MJ; Dyer, MS; Claridge, JB; Slater, B; ... Rosseinsky, MJ; + view all (2018) A and B site doping of a phonon-glass perovskite oxide thermoelectric. Journal of Materials Chemistry A , 6 (32) pp. 15640-15652. 10.1039/c8ta03739f. Green open access
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Das, PK; Slawinska, J; Vobornik, I; Fujii, J; Regoutz, A; Kahk, JM; Scanlon, DO; ... Payne, DJ; + view all (2018) Role of spin-orbit coupling in the electronic structure of IrO2. Physical Review Materials , 2 (6) , Article 065001. 10.1103/PhysRevMaterials.2.065001. Green open access
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De Luca, F; Clancy, AJ; Carrero, NR; Anthony, DB; De Luca, HG; Shaffer, MSP; Bismarck, A; (2018) Increasing carbon fiber composite strength with a nanostructured "brick-and-mortar" interphase. Materials Horizons , 5 (4) pp. 668-674. 10.1039/c7mh00917h. Green open access
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Decarolis, D; Lezcano-Gonzalez, I; Gianolio, D; Beale, AM; (2018) Effect of Particle Size and Support Type on Pd Catalysts for 1,3-Butadiene Hydrogenation. Topics in Catalysis , 61 (3-4) pp. 162-174. 10.1007/s11244-018-0887-4. Green open access
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Diez, SJ; Eddleston, MD; Arhangelskis, M; Milbled, M; Müller, MJ; Bond, AD; Bučar, DK; (2018) Crystallization at Solvent Interfaces Enables Access to a Variety of Cocrystal Polymorphs and Hydrates. Crystal Growth and Design , 18 (6) pp. 3263-3268. 10.1021/acs.cgd.8b00114. Green open access
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Ding, D; Rath, T; Lanzetta, L; Marin-Beloqui, JM; Haque, SA; (2018) Efficient Hybrid Solar Cells Based on Solution Processed Mesoporous TiO₂/Tin(II) Sulfide Heterojunctions. ACS Applied Energy Materials , 1 (7) pp. 3042-3047. 10.1021/acsaem.8b00590. Green open access
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Dixon, SC; Jiamprasertboon, A; Carmalt, C; Parkin, I; (2018) Luminescence behaviour and deposition of Sc2O3 thin films from scandium(III) acetylacetonate at ambient pressure. Applied Physics Letters , 112 (22) , Article 221902. 10.1063/1.5038636. Green open access
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Dixon, SC; Manzi, JA; Powell, MJ; Carmalt, CJ; Parkin, IP; (2018) Reflective Silver Thin Film Electrodes from Commercial Silver(I) Triflate via Aerosol-Assisted Chemical Vapor Deposition. ACS Applied Nano Materials , 1 (7) pp. 3724-3732. 10.1021/acsanm.8b00949. Green open access
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Dong, H; Xu, Y; Zhang, C; Wu, Y; Zhou, M; Liu, L; Dong, Y; ... Lei, Y; + view all (2018) MoS₂ nanosheets with expanded interlayer spacing for enhanced sodium storage. Inorganic Chemistry Frontiers , 5 (12) pp. 3099-3105. 10.1039/c8qi00969d. Green open access
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Dong, J; Zhang, X; Huang, J; Gao, S; Mao, J; Cai, J; Chen, Z; ... Lai, Y; + view all (2018) Boosting heterojunction interaction in electrochemical construction of MoS₂ quantum dots@TiO₂ nanotube arrays for highly effective photoelectrochemical performance and electrocatalytic hydrogen evolution. Electrochemistry Communications , 93 pp. 152-157. 10.1016/j.elecom.2018.07.008. Green open access
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Drosos, C; Jia, C; Mathew, S; Palgrave, RG; Moss, B; Kafizas, A; Vernardou, D; (2018) Aerosol-assisted chemical vapor deposition of V2O5 cathodes with high rate capabilities for magnesium-ion batteries. Journal of Power Sources , 384 pp. 355-359. 10.1016/j.jpowsour.2018.02.074. Green open access
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Eelen, G; Dubois, C; Cantelmo, AR; Goveia, J; Brüning, U; DeRan, M; Jarugumilli, G; ... Carmeliet, P; + view all (2018) Role of glutamine synthetase in angiogenesis beyond glutamine synthesis. Nature , 561 (7721) pp. 63-69. 10.1038/s41586-018-0466-7. Green open access
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Efthymiopoulos, I; Hellier, P; Ladommatos, N; Russo-Profili, A; Eveleigh, A; Aliev, A; Kay, A; (2018) Influence of solvent selection and extraction temperature on yield and composition of lipids extracted from spent coffee grounds. Industrial Crops and Products , 119 pp. 49-56. 10.1016/j.indcrop.2018.04.008. Green open access
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Escher, SGET; Lazauskas, T; Zwijnenburg, MA; Woodley, SM; (2018) Synthesis target structures for alkaline earth oxide clusters. Inorganics , 6 (1) , Article 29. 10.3390/inorganics6010029. Green open access
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Fang, G; Bahrami, H; Zhang, M; (2018) Mechanisms of autogenous shrinkage of alkali-activated fly ash-slag pastes cured at ambient temperature within 24 h. Construction and Building Materials , 171 pp. 377-387. 10.1016/j.conbuildmat.2018.03.155. Green open access
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Fang, G; Ho, WK; Tu, W; Zhang, M; (2018) Workability and mechanical properties of alkali-activated fly ash-slag concrete cured at ambient temperature. Construction and Building Materials , 172 pp. 476-487. 10.1016/j.conbuildmat.2018.04.008. Green open access
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Fernandez, M; Javaid, F; Chudasama, V; (2018) Advances in targeting the folate receptor in the treatment/imaging of cancers. Chemical Science , 9 (4) pp. 790-810. 10.1039/c7sc04004k. Green open access
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Fernandez Garcia, CA; Grefenstette, NM; Powner, MW; (2018) Selective aqueous acetylation controls the photoanomerization of α-cytidine-5′-phosphate. Chemical Communications , 54 (38) pp. 4850-4853. 10.1039/c8cc01929k. Green open access
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Fielding, HH; (2018) Molecular movies filmed at conical intersections. Science , 361 (6397) pp. 30-31. 10.1126/science.aat6002. Green open access
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Fielding, HH; Worth, GA; (2018) Using time-resolved photoelectron spectroscopy to unravel the electronic relaxation dynamics of photoexcited molecules. Chemical Society Reviews , 47 (2) pp. 309-321. 10.1039/c7cs00627f. Green open access
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Fogarty, R; Matthews, R; Ashworth, C; Brandt, A; Palgrave, R; Bourne, R; Hoogerstraete, T; ... Lovelock, K; + view all (2018) Experimental Validation of Calculated Atomic Charges in Ionic Liquids. Journal of Chemical Physics , 148 10.1063/1.5011662. Green open access
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Forte, N; Chudasama, V; Baker, JR; (2018) Homogeneous antibody-drug conjugates via site-selective disulfide bridging. Drug Discovery Today: Technologies , 30 pp. 11-20. 10.1016/j.ddtec.2018.09.004. Green open access
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Forte, N; Livanos, M; Miranda, E; Morais, M; Yang, X; Rajkumar, VS; Chester, KA; ... Baker, JR; + view all (2018) Tuning the Hydrolytic Stability of Next Generation Maleimide Cross-Linkers Enables Access to Albumin-Antibody Fragment Conjugates and tri-scFvs. Bioconjugate Chemistry , 29 (2) pp. 486-492. 10.1021/acs.bioconjchem.7b00795. Green open access
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Gaitzsch, J; Welsch, PC; Folini, J; Schoenenberger, C-A; Anderson, JC; Meier, WP; (2018) Revisiting monomer synthesis and radical ring opening polymerization of dimethylated MDO towards biodegradable nanoparticles for enzymes. European Polymer Journal , 101 pp. 113-119. 10.1016/j.eurpolymj.2018.02.015. Green open access
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Galan, SRG; Wickens, JR; Dadova, J; Ng, W-L; Zhang, X; Simion, RA; Quinlan, R; ... Davis, BG; + view all (2018) Post-translational site-selective protein backbone alpha-deuteration. Nature Chemical Biology , 14 (10) pp. 955-963. 10.1038/s41589-018-0128-y. Green open access
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Galdadas, I; Lovera, S; Pérez-Hernández, G; Barnes, MD; Healy, J; Afsharikho, H; Woodford, N; ... Haider, S; + view all (2018) Defining the architecture of KPC-2 Carbapenemase: identifying allosteric networks to fight antibiotics resistance. Scientific Reports , 8 (1) , Article 12916. 10.1038/s41598-018-31176-0. Green open access
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Ganose, AM; Gannon, L; Fabrizi, F; Nowell, H; Barnett, SA; Lei, H; Zhu, X; ... Hoesch, M; + view all (2018) Local corrugation and persistent charge density wave in ZrTe3 with Ni intercalation. Physical Review B , 97 (15) , Article 155103. 10.1103/PhysRevB.97.155103. Green open access
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Ganose, AM; Jackson, AJ; Scanlon, DO; (2018) sumo: Command-line tools for plotting and analysis of periodic *ab initio* calculations. Journal of Open Source Software , 3 (28) , Article 717. 10.21105/joss.00717. Green open access
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Ganose, AM; Matsumoto, S; Buckeridge, J; Scanlon, DO; (2018) Defect engineering of earth-abundant solar absorbers, BiSI and BiSeI. Chemistry of Materials , 30 (11) pp. 3827-3835. 10.1021/acs.chemmater.8b01135. Green open access
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Garciadiego Ortega, E; Evans, JRG; (2018) On the energy required to maintain an ocean mirror using the reflectance of foam. Proceedings of the Institution of Mechanical Engineers, Part M: Journal of Engineering for the Maritime Environment 10.1177/1475090217750442. (In press). Green open access
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Gardecka, AJ; Lubke, M; Armer, CF; Ning, D; Reddy, MV; Williams, AS; Lowe, A; ... Darr, JA; + view all (2018) Nb-doped rutile titanium dioxide nanorods for lithium-ion batteries. Solid State Sciences , 83 pp. 115-121. 10.1016/j.solidstatesciences.2018.07.004. Green open access
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Gendron, T; Sander, K; Cybulska, K; Benhamou, L; Sin, PKB; Khan, A; Wood, M; ... Årstad, E; + view all (2018) Ring-Closing Synthesis of Dibenzothiophene Sulfonium Salts and Their Use as Leaving Groups for Aromatic 18F-Fluorination. Journal of the American Chemical Society , 140 (35) pp. 11125-11132. 10.1021/jacs.8b06730. Green open access
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Genovese, C; Schuster, ME; Gibson, E; Gianolio, D; Posligua, V; Grau-Crespo, R; Cibin, G; ... Arrigo, R; + view all (2018) Operando spectroscopy study of the carbon dioxide electro-reduction by iron species on nitrogen-doped carbon. Nature Communications , 9 , Article 935. 10.1038/s41467-018-03138-7. Green open access
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Gherghel, S; Morgan, RM; Arrebola-Liébanas, J; Romero-González, R; Blackman, CS; Garrido-Frenich, A; Parkin, IP; (2018) Development of a HS-SPME/GC-MS method for the analysis of volatile organic compounds from fabrics for forensic reconstruction applications. Forensic Sci Int , 290 pp. 207-218. 10.1016/j.forsciint.2018.07.015. Green open access
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Gibson, SM; D'Oyley, JM; Higham, JI; Sanders, K; Laserna, V; Aliev, AE; Sheppard, TD; (2018) Dihalohydration of Alkynols: A Versatile Approach to Diverse Halogenated Molecules. European Journal of Organic Chemistry , 2018 (29) pp. 4018-4028. 10.1002/ejoc.201800668. Green open access
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Gibson, SM; Macmillan, D; sheppard, TD; (2018) Synthesis of Boronocysteine. Synlett , 29 (3) pp. 314-317. 10.1055/s-0036-1591491. Green open access
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Giussani, A; Conti, I; Nenov, A; Garavelli, M; (2018) Photoinduced Formation Mechanism of the Thymine-Thymine (6-4) Adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study. Faraday Discussions , 207 pp. 375-387. 10.1039/C7FD00202E. Green open access
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Gładysiak, A; Nguyen, T; Anderson, S; Boyd, P; Palgrave, R; Bacsa, J; Smit, B; ... Stylianou, K; + view all (2018) Shedding Light on the Protonation States and Location of Protonated N Atoms of Adenine in Metal–Organic Frameworks. Inorganic Chemistry , 57 (4) pp. 1888-1900. 10.1021/acs.inorgchem.7b02761. Green open access
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Goel, H; Ling, S; Ellis, BN; Taconi, A; Slater, B; Rai, N; (2018) Predicting vapor liquid equilibria using density functional theory: A case study of argon. The Journal of Chemical Physics , 148 (22) , Article 224501. 10.1063/1.5025726. Green open access
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Gould, AL; Catlow, CRA; Logsdail, AJ; (2018) Computational investigation of CO adsorbed on Au-x, Ag-x and (AuAg)(x) nanoclusters (x=1-5, 147) and monometallic Au and Ag low-energy surfaces. European Physical Journal B , 91 (2) 10.1140/epjb/e2017-80280-7. Green open access
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Greenaway, AG; Lezcano-Gonzalez, I; Agote-Aran, M; Gibson, EK; Odarchenko, Y; Beale, AM; (2018) Operando Spectroscopic Studies of Cu–SSZ-13 for NH3–SCR deNOx Investigates the Role of NH3 in Observed Cu(II) Reduction at High NO Conversions. Topics in Catalysis , 61 (3-4) pp. 175-182. 10.1007/s11244-018-0888-3. Green open access
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Greene, MK; Richards, DA; Nogueira, JCF; Campbell, K; Smyth, P; Fernández, M; Scott, CJ; (2018) Forming next-generation antibody–nanoparticle conjugates through the oriented installation of non-engineered antibody fragments. Chemical Science , 9 (1) pp. 79-87. 10.1039/C7SC02747H. Green open access
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Griffin, M; Palgrave, R; Baldovino-Medrano, V; Butler, P; Kalaskar, DM; (2018) Argon plasma improves the tissue integration and angiogenesis of subcutaneous implants by modifying surface chemistry and topography. International Journal of Nanomedicine , 13 pp. 6123-6141. 10.2147/IJN.S167637. Green open access
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Groen, D; Richardson, RA; Coy, R; Schiller, UD; Chandrashekar, H; Robertson, F; Coveney, PV; (2018) Validation of Patient-Specific Cerebral Blood Flow Simulation Using Transcranial Doppler Measurements. Frontiers in Physiology , 9 , Article 721. 10.3389/fphys.2018.00721. Green open access
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Gruber, P; Carvalho, F; Marques, MPC; O'Sullivan, B; Subrizi, F; Dobrijevic, D; Ward, J; ... Szita, N; + view all (2018) Enzymatic synthesis of chiral amino-alcohols by coupling transketolase and transaminase-catalyzed reactions in a cascading continuous-flow microreactor system. Biotechnology and Bioengineering , 115 pp. 586-596. 10.1002/bit.26470. Green open access
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Hager, R; Arnold, A; Sevcsik, E; Schütz, GJ; Howorka, S; (2018) Tunable DNA Hybridization Enables Spatially and Temporally Controlled Surface-Anchoring of Biomolecular Cargo. Langmuir , 34 (49) pp. 15021-15027. 10.1021/acs.langmuir.8b01942. Green open access
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Haldar, S; Comitani, F; Saladino, G; Woods, C; van der Kamp, MW; Mulholland, AJ; Gervasio, FL; (2018) A Multiscale Simulation Approach to Modeling Drug–Protein Binding Kinetics. Journal of Chemical Theory and Computation , 14 (11) pp. 6093-6101. 10.1021/acs.jctc.8b00687. Green open access
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Halliwell, LM; Jathoul, AP; Bate, JP; Worthy, HL; Anderson, JC; Jones, DD; Murray, JAH; (2018) Delta Flucs: Brighter Photinus pyralis firefly luciferases identified by surveying consecutive single amino acid deletion mutations in a thermostable variant. Biotechnology and Bioengineering , 115 (1) pp. 50-59. 10.1002/bit.26451. Green open access
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Handoko, AD; Liew, L-L; Lin, M; Sankar, G; Du, Y; Su, H; Dong, Z; (2018) Elucidation of thermally induced internal porosity in zinc oxide nanorods. Nano Research , 11 (5) pp. 2412-2423. 10.1007/s12274-017-1862-2. Green open access
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Harris, TGAA; Goetz, R; Wrzolek, P; Davis, V; Knapp, CE; Ly, K; Hildebrandt, P; ... Fischer, A; + view all (2018) Robust electrografted interfaces on metal oxides for electrocatalysis - an in situ spectroelectrochemical study. Journal of Materials Chemistry A , 6 (31) pp. 15200-15212. 10.1039/c8ta02983k. Green open access
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Harrison, G; Katsiev, K; Alsalik, Y; Thornton, G; Idriss, H; (2018) Switch in photocatalytic reaction selectivity: The effect of oxygen partial pressure on carbon-carbon bond dissociation over hydroxylated TiO₂(1 1 0) surfaces. Journal of Catalysis , 363 pp. 117-127. 10.1016/j.jcat.2018.04.015. Green open access
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Hart, M; Chen, J; Michaelides, A; Sella, A; Shaffer, MSP; Salzmann, CG; (2018) One-Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single-Wall Carbon Nanotubes. Angewandte Chemie , 130 (36) pp. 11823-11827. 10.1002/ange.201805856. Green open access
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Hart, M; Chen, J; Michaelides, A; Sella, A; Shaffer, MSP; Salzmann, CG; (2018) One‐Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single‐Wall Carbon Nanotubes. Angewandte Chemie International Edition , 57 (36) pp. 11649-11653. 10.1002/anie.201805856. Green open access
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He, G; Han, X; Moss, B; Weng, Z; Gadipelli, S; Lai, F; Kafizas, AG; ... Parkin, IP; + view all (2018) Solid solution nitride/carbon nanotube hybrids enhance electrocatalysis of oxygen in zinc-air batteries. Energy Storage Materials , 15 pp. 380-387. 10.1016/j.ensm.2018.08.020. Green open access
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Heale, FL; Page, K; Wixey, JS; Taylor, P; Parkin, IP; Carmalt, CJ; (2018) Inexpensive and non-toxic water repellent coatings comprising SiO2 nanoparticles and long chain fatty acids. RSC Advances , 8 (48) pp. 27064-27072. 10.1039/c8ra04707c. Green open access
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Henley, A; Patel, AM; Parkes, MA; Anderson, JC; Fielding, HH; (2018) The Role of Photoisomerisation on the Photodetachment of the Photoactive Yellow Protein Chromophore. Journal of Physical Chemistry A 10.1021/acs.jpca.8b07770. (In press). Green open access
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Hou, Q; Buckeridge, J; Lazauskas, T; Mora-Fonz, D; Sokol, AA; Woodley, SM; Catlow, CRA; (2018) Defect formation in In2O3 and SnO2: a new atomistic approach based on accurate lattice energies. Journal of Materials Chemistry C , 6 (45) pp. 12386-12395. 10.1039/c8tc04760j. Green open access
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Hovan, L; Comitani, F; Gervasio, FL; (2018) Defining an Optimal Metric for the Path Collective Variables. Journal of Chemical Theory and Computation , 15 (1) pp. 25-32. 10.1021/acs.jctc.8b00563. Green open access
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Humphrey, DS; Pang, CL; Chen, Q; Thornton, G; (2018) Electron induced nanoscale engineering of rutile TiO2 surfaces. Nanotechnology , 30 , Article 025303. 10.1088/1361-6528/aae95b. Green open access
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Hwang, G; Allan, E; Patir, A; Nair, SP; Parkin, I; (2018) Photobactericidal activity of dual dyes encapsulated in silicone enhanced by silver nanoparticles. ACS OMEGA , 3 (6) pp. 6779-6786. 10.1021/acsomega.8b00552. Green open access
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Hwang, GB; Page, K; Patir, A; Nair, SP; Allan, E; Parkin, IP; (2018) The Anti-Biofouling Properties of Superhydrophobic Surfaces are Short-Lived. ACS Nano , 12 (6) pp. 6050-6058. 10.1021/acsnano.8b02293. Green open access
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Ibrahim Abouelamaiem, D; Mostazo-López, MJ; He, G; Patel, D; Neville, TP; Parkin, IP; Lozano-Castelló, D; ... Brett, DJL; + view all (2018) New insights into the electrochemical behaviour of porous carbon electrodes for supercapacitors. Journal of Energy Storage , 19 pp. 337-347. 10.1016/j.est.2018.08.014. Green open access
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Ingram, DJ; Headen, TF; Skipper, NT; Callear, SK; Billing, M; Sella, A; (2018) Dihydrogen: Vs. hydrogen bonding in the solvation of ammonia borane by tetrahydrofuran and liquid ammonia. Physical Chemistry Chemical Physics , 20 (17) pp. 12200-12209. 10.1039/c7cp08220g. Green open access
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Isaacs, MA; Barbero, B; Durndell, LJ; Hilton, AC; Olivi, L; Parlett, CMA; Wilson, K; (2018) Tunable Silver-Functionalized Porous Frameworks for Antibacterial Applications. Antibiotics , 7 (3) , Article 55. 10.3390/antibiotics7030055. Green open access
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Ishida, S; Sheppard, T; Nishikata, T; (2018) Site selectivities in fluorination. Tetrahedron Letters , 59 (9) pp. 789-798. 10.1016/j.tetlet.2018.01.044. Green open access
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Iuzzolino, L; McCabe, P; Price, SL; Brandenburg, JG; (2018) Crystal structure prediction of flexible pharmaceutical-like molecules: Density functional tight-binding as an intermediate optimization method and for free energy estimation. Faraday Discussions , 211 pp. 275-296. 10.1039/C8FD00010G. Green open access
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J Jackson, A; M Ganose, A; Regoutz, A; G. Egdell, R; O Scanlon, D; (2018) Galore: Broadening and weighting for simulation of photoelectron spectroscopy. Journal of Open Source Software , 3 (26) , Article 773. 10.21105/joss.00773. Green open access
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Jabłońska, M; Beale, AM; Nocuń, M; Palkovits, R; (2018) Ag-Cu based catalysts for the selective ammonia oxidation into nitrogen and water vapour. Applied Catalysis B: Environmental , 232 pp. 275-287. 10.1016/j.apcatb.2018.03.029. Green open access
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Jabłońska, M; Wolkenar, B; Beale, AM; Pischinger, S; Palkovits, R; (2018) Comparison of Cu-Mg-Al-Ox and Cu/Al2O3 in selective catalytic oxidation of ammonia (NH3-SCO). Catalysis Communications , 110 pp. 5-9. 10.1016/j.catcom.2018.03.003. Green open access
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Jackson, RJ; Patrick, PS; Page, K; Powell, MJ; Lythgoe, MF; Miodownik, MA; Parkin, IP; ... Bear, JC; + view all (2018) Chemically Treated 3D Printed Polymer Scaffolds for Biomineral Formation. ACS Omega , 3 (4) pp. 4342-4351. 10.1021/acsomega.8b00219. Green open access
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Jaiswal, N; Pandey, CM; Soni, A; Tiwari, I; Rosillo-Lopez, M; Salzmann, CG; Malhotra, BD; (2018) Electrochemical genosensor based on carboxylated graphene for detection of water-borne pathogen. Sensors and Actuators, B: Chemical , 275 pp. 312-321. 10.1016/j.snb.2018.07.055. Green open access
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Janicki, MJ; Roberts, SJ; Šponer, J; Powner, MW; Góra, RW; Szabla, R; (2018) Photostability of oxazoline RNA-precursors in UV-rich prebiotic environments. Chemical Communications , 54 (95) pp. 13407-13410. 10.1039/c8cc07343k. Green open access
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Jenkins, AJ; Spinlove, KE; Vacher, M; Worth, GA; Robb, MA; (2018) The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations. Journal of Chemical Physics , 149 (9) 10.1063/1.5038428. Green open access
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Jia, J; White, ER; Clancy, AJ; Rubio, N; Suter, T; Miller, TS; McColl, K; ... Shaffer, MSP; + view all (2018) Fast Exfoliation and Functionalisation of Two-Dimensional Crystalline Carbon Nitride by Framework Charging. Angewandte Chemie , 130 (39) pp. 12838-12842. 10.1002/ange.201800875. Green open access
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Jia, J; White, ER; Clancy, AJ; Rubio Carrero, N; Suter, T; Miller, TS; McMillan, PM; ... Shaffer, M; + view all (2018) Fast Exfoliation and Functionalisation of Two‐Dimensional Crystalline Carbon Nitride by Framework Charging. Angewandte Chemie International Edition , 57 (39) pp. 12656-12660. 10.1002/anie.201800875. Green open access
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Jiamprasertboon, A; Powell, MJ; Dixon, SC; Quesada-Cabrera, R; Alotaibi, AM; Lu, Y; Zhuang, A; ... Carmalt, CJ; + view all (2018) Photocatalytic and electrically conductive transparent Cl-doped ZnO thin films: Via aerosol-assisted chemical vapour deposition. Journal of Materials Chemistry A , 6 (26) pp. 12682-12692. 10.1039/c8ta01420e. Green open access
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Johnson, ID; Ashton, TE; Blagovidova, E; Smales, GJ; Lübke, M; Baker, PJ; Corr, SA; (2018) Mechanistic insights of Li+ diffusion within doped LiFePO4 from Muon Spectroscopy. Scientific Reports , 8 , Article 4114. 10.1038/s41598-018-22435-1. Green open access
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Jorge, AB; Dedigama, I; Miller, TS; Shearing, P; Brett, DJL; McMillan, PF; (2018) Carbon Nitride Materials as Efficient Catalyst Supports for Proton Exchange Membrane Water Electrolyzers. Nanomaterials , 8 (6) , Article 432. 10.3390/nano8060432. Green open access
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Kammert, JD; Xie, J; Godfrey, IJ; Unocic, RR; Stayitski, E; Attenkofer, K; Sankar, G; (2018) Reduction of Propionic Acid over a Pd-Promoted ReOx/SiO2 Catalyst Probed by X-ray Absorption Spectroscopy and Transient Kinetic Analysis. ACS Sustainable Chemistry and Engineering , 6 (9) pp. 12353-12366. 10.1021/acssuschemeng.8b02820. Green open access
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Kampouri, S; Nguyen, TN; Spodaryk, M; Palgrave, RG; Züttel, A; Smit, B; Stylianou, KS; (2018) Concurrent Photocatalytic Hydrogen Generation and Dye Degradation Using MIL‐125‐NH₂ under Visible Light Irradiation. Advanced Functional Materials , 28 (52) , Article 1806368. 10.1002/adfm.201806368. Green open access
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Karaluka, V; Murata, K; Masuda, S; Shiramatsu, Y; Kawamoto, T; Hailes, HC; Sheppard, TD; (2018) Development of a microwave-assisted sustainable conversion of furfural hydrazones to functionalised phthalimides in ionic liquids. RSC Advances , 8 (40) pp. 22617-22624. 10.1039/c8ra03895c. Green open access
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Karmaoui, M; Jorge, AB; McMillan, PF; Aliev, AE; Pullar, RC; Labrincha, JA; Tobaldi, DM; (2018) Correction: One-Step Synthesis, Structure, and Band Gap Properties of SnO2 Nanoparticles Made by a Low Temperature Nonaqueous Sol–Gel Technique. ACS Omega , 3 (11) p. 16386. 10.1021/acsomega.8b02860. Green open access
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Karmaoui, M; Jorge, AB; McMillan, PF; Aliev, AE; Pullar, RC; Labrincha, JA; Tobaldi, DM; (2018) One-Step Synthesis, Structure, and Band Gap Properties of SnO2 Nanoparticles Made by a Low Temperature Nonaqueous Sol–Gel Technique. ACS Omega , 3 (10) pp. 13227-13238. 10.1021/acsomega.8b02122. Green open access
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Karthikeyan, S; Kumar, S; Durndell, LJ; Isaacs, MA; Parlett, CMA; Coulson, B; Douthwaite, RE; ... Lee, AF; + view all (2018) Size-Dependent Visible Light Photocatalytic Performance of Cu2O Nanocubes. ChemCatChem , 10 (16) pp. 3554-3563. 10.1002/cctc.201800439. Green open access
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Kerbert, AJ; Engelmann, C; Jalan, R; (2018) Neurocritical Care Management of Hepatic Encephalopathy and Coma in Liver Failure. Seminars in Respiratory and Critical Care Medicine , 39 (5) pp. 523-537. 10.1055/s-0038-1672180. Green open access
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Khan, MA; Al-Oufi, M; Toseef, A; Nadeem, MA; Idriss, H; (2018) Comparing the Reaction Rates of Plasmonic (Gold) and Non-Plasmonic (Palladium) Metal Particles in Photocatalytic Hydrogen Production. Catalysis Letters , 148 (1) pp. 1-10. 10.1007/s10562-017-2197-z. Green open access
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Knapp, CE; Chemin, JB; Douglas, SP; Abessolo Ondo, D; Guillot, J; Choquet, P; Boscher, ND; (2018) Room-Temperature Plasma-Assisted Inkjet Printing of Highly Conductive Silver on Paper. Advanced Materials Technologies 10.1002/admt.201700326. Green open access
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Knapp, CE; Dyer, C; Chadwick, NP; Hazael, R; Carmalt, CJ; (2018) Metal β-diketoiminate precursor use in aerosol assisted chemical vapour deposition of gallium- and aluminium-doped zinc oxide. Polyhedron , 140 pp. 35-41. 10.1016/j.poly.2017.10.036. Green open access
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Knapp, CE; Metcalf, EA; Mrig, S; Sanchez-Perez, C; Douglas, SP; Choquet, P; Boscher, ND; (2018) Precursors for Atmospheric Plasma-Enhanced Sintering: Low-Temperature Inkjet Printing of Conductive Copper. ChemistryOpen , 7 (11) pp. 850-857. 10.1002/open.201800131. Green open access
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Kumar, S; Durndell, LJ; Manayil, JC; Isaacs, MA; Parlett, CMA; Karthikeyan, S; Douthwaite, RE; ... Lee, AF; + view all (2018) Delaminated CoAl‐Layered Double Hydroxide@TiO₂ Heterojunction Nanocomposites for Photocatalytic Reduction of CO₂. Particle & Particle Systems Characterization , 35 (1) , Article 1700317. 10.1002/ppsc.201700317. Green open access
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Lazauskas, T; Sokol, AA; Buckeridge, J; Catlow, CRA; Escher, SGET; Farrow, MR; Mora-Fonz, D; ... Woodley, SM; + view all (2018) Thermodynamically accessible titanium clusters TiN, N = 2-32. Physical Chemistry Chemical Physics : PCCP 10.1039/c8cp00406d. (In press). Green open access
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Leipold, L; Dobrijevic, D; Jeffries, J; Bawn, M; Moody, T; Ward, J; Hailes, HC; (2018) The identification and use of robust transaminases from a domestic drain metagenome. RSC Green Chemistry , 1 pp. 75-86. 10.1039/c8gc02986e. Green open access
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Leung, AHM; Pike, SD; Clancy, AJ; Yau, HC; Lee, WJ; Orchard, KL; Shaffer, MSP; (2018) Layered zinc hydroxide monolayers by hydrolysis of organozincs. Chemical Science , 9 (8) pp. 2135-2146. 10.1039/c7sc04256f. Green open access
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Leventis, A; Royakkers, J; Rapidis, AG; Goodeal, N; Corpinot, MK; Frost, JM; Bučar, D-K; ... Bronstein, H; + view all (2018) Highly Luminescent Encapsulated Narrow Bandgap Polymers Based on Diketopyrrolopyrrole. Journal of the American Chemical Society , 140 (5) pp. 1622-1626. 10.1021/jacs.7b13447. Green open access
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Li, J; Sathasivam, S; Taylor, A; Carmalt, CJ; Parkin, IP; (2018) Single step route to highly transparent, conductive and hazy aluminium doped zinc oxide films. RSC Advances , 8 (74) pp. 42300-42307. 10.1039/c8ra09338e. Green open access
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Li, S; Page, K; Sathasivam, S; Heale, F; He, G; Lu, Y; Lai, Y; ... Parkin, IP; + view all (2018) Efficiently texturing hierarchical superhydrophobic fluoride-free translucent films by AACVD with excellent durability and self-cleaning ability. Journal of Materials Chemistry A , 6 (36) pp. 17633-17641. 10.1039/c8ta05402a. Green open access
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Li, W; Zhang, B; Lin, R; Ho-Kimura, S; He, G; Zhou, X; Hu, J; (2018) A Dendritic Nickel Cobalt Sulfide Nanostructure for Alkaline Battery Electrodes. Advanced Functional Materials 10.1002/adfm.201705937. (In press). Green open access
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Ling, M; Blackman, CS; (2018) Gas-phase synthesis of hybrid nanostructured materials. Nanoscale , 10 (48) pp. 22981-22989. 10.1039/c8nr06257a. Green open access
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Liu, L; Yu, H; Du, K; Wang, Z; Gan, Y; Huang, H; (2018) Enhanced trypsin thermostability in Pichia pastoris through truncating the flexible region. Microbial Cell Factories , 17 (1) , Article 165. 10.1186/s12934-018-1012-x. Green open access
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Loynachan, CN; Thomas, MR; Gray, ER; Richards, DA; Kim, J; Miller, BS; Brookes, JC; ... Stevens, MM; + view all (2018) Platinum Nanocatalyst Amplification: Redefining the Gold Standard for Lateral Flow Immunoassays with Ultrabroad Dynamic Range. ACS Nano , 12 (1) pp. 279-288. 10.1021/acsnano.7b06229. Green open access
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Lu, Y; Farrow, MR; Fayon, P; Logsdail, AJ; Sokol, AA; Catlow, CRA; Sherwood, P; (2018) An Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment. Journal of Chemical Theory and Computation 10.1021/acs.jctc.8b01036. (In press). Green open access
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Lubke, M; Sumboja, A; McCafferty, L; Armer, CF; Handoko, AD; Du, Y; McColl, K; ... Darr, JA; + view all (2018) Transition-Metal-Doped alpha-MnO2 Nanorods as Bifunctional Catalysts for Efficient Oxygen Reduction and Evolution Reactions. ChemistrySelect , 3 (9) pp. 2613-2622. 10.1002/slct.201702514. Green open access
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Lucaioli, P; Nauha, E; Gimondi, I; Price, LS; Guo, R; Iuzzolino, L; Singh, I; ... Blagden, N; + view all (2018) Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction. CrystEngComm , 20 (28) pp. 3971-3977. 10.1039/C8CE00625C. Green open access
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Luo, H; Lu, Y; Yin, S; Huang, S; Song, J; Chen, F; Chen, F; ... Parkin, I; + view all (2018) Robust platform for water harvesting and directional transport. Journal of Materials Chemistry A , 6 (14) pp. 5635-5643. 10.1039/C8TA01096J. Green open access
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Macdonald, TJ; Ambroz, F; Batmunkh, M; Li, Y; Kim, D; Contini, C; Poduval, R; ... Parkin, IP; + view all (2018) TiO2 nanofiber photoelectrochemical cells loaded with sub-12 nm AuNPs: Size dependent performance evaluation. Materials Today Energy , 9 pp. 254-263. 10.1016/j.mtener.2018.06.005. Green open access
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Malarde, D; Johnson, I; Godfrey, I; Powell, M; Cibin, G; Quesada Cabrera, R; Darr, J; ... Palgrave, RG; + view all (2018) Direct and Continuous Hydrothermal Flow Synthesis of Thermochromic Phase Pure Monoclinic VO2 Nanoparticles. Journal of Materials Chemistry C , 6 (43) pp. 11731-11739. 10.1039/C8TC00859K. Green open access
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Malinowski, R; Volpe, G; Parkin, IP; Volpe, G; (2018) Dynamic Control of Particle Deposition in Evaporating Droplets by an External Point Source of Vapor. Journal of Physical Chemistry Letters , 9 (3) pp. 659-664. 10.1021/acs.jpclett.7b02831. Green open access
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Manning, JRH; Routoula, E; Patwardhan, SV; (2018) Preparation of Functional Silica Using a Bioinspired Method. Journal of Visualized Experiments (138) , Article e57730. 10.3791/57730. Green open access
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Mant, BP; Law, MM; (2018) Gaussian basis functions for highly oscillatory scattering wavefunctions. Journal of Physics B: Atomic, Molecular and Optical Physics , 51 (7) , Article 075203. 10.1088/1361-6455/aab19f. Green open access
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Mant, BP; Yachmenev, A; Tennyson, J; Yurchenko, SN; (2018) ExoMol molecular line lists - XXVII. Spectra of C2H4. Monthly Notices of the Royal Astronomical Society , 478 (3) pp. 3220-3232. 10.1093/mnras/sty1239. Green open access
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Matam, SK; Howe, RF; Thetford, A; Catlow, CRA; (2018) Room temperature methoxylation in zeolite H-ZSM-5: an operando DRIFTS/mass spectrometric study. Chemical Communications , 54 (91) pp. 12875-12878. 10.1039/c8cc07444e. Green open access
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Matam, SK; O'Malley, AJ; Catlow, CRA; Suwardiyanto, .; Collier, P; Hawkins, AP; Zachariou, A; ... Howe, RF; + view all (2018) The effects of MTG catalysis on methanol mobility in ZSM-5. Catalysis Science & Technology , 8 (13) pp. 3304-3312. 10.1039/c8cy00422f. Green open access
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Matias, D; Balca-Silva, J; da Graca, GC; Wanjiru, CM; Macharia, LW; Nascimento, CP; Roque, NR; ... Moura-Neto, V; + view all (2018) Microglia/Astrocytes-Glioblastoma Crosstalk: Crucial Molecular Mechanisms and Microenvironmental Factors. Frontiers in Cellular Neuroscience , 12 , Article 235. 10.3389/fncel.2018.00235. Green open access
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Matras, D; Jacques, SDM; Godini, HR; Khadivi, M; Drnec, J; Poulain, A; Cernik, RJ; (2018) Real-Time Operando Diffraction Imaging of La-Sr/CaO During the Oxidative Coupling of Methane. Journal of Physical Chemistry C , 122 (4) pp. 2221-2230. 10.1021/acs.jpcc.7b11573. Green open access
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Maughan, AE; Ganose, AM; Almaker, MA; Scanlon, DO; Neilson, JR; (2018) Tolerance Factor and Cooperative Tilting Effects in Vacancy-Ordered Double Perovskite Halides. Chemistry of Materials , 30 (11) pp. 3909-3919. 10.1021/acs.chemmater.8b01549. Green open access
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Maughan, AE; Ganose, AM; Candia, AM; Granger, JT; Scanlon, DO; Neilson, JR; (2018) Anharmonicity and Octahedral Tilting in Hybrid Vacancy-Ordered Double Perovskites. Chemistry of Materials , 30 (2) pp. 472-483. 10.1021/acs.chemmater.7b04516. Green open access
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McColl, K; Johnson, I; Corà, F; (2018) Thermodynamics and defect chemistry of substitutional and interstitial cation doping in layered α-V2O5. Physical Chemistry Chemical Physics , 20 (22) pp. 15002-15006. 10.1039/c8cp02187b. Green open access
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Meng, Q; Liu, J; Weng, X; Sun, P; Darr, JA; Wu, Z; (2018) In situ valence modification of Pd/NiO nano-catalysts in supercritical water towards toluene oxidation. Catalysis Science & Technology , 8 (7) pp. 1858-1866. 10.1039/c7cy02366a. Green open access
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Mitchell, SA; Truscott, F; Dickman, R; Ward, J; Tabor, AB; (2018) Simplified lipid II-binding antimicrobial peptides: Design, synthesis and antimicrobial activity of bioconjugates of nisin rings A and B with pore-forming peptides. Bioorganic & Medicinal Chemistry , 26 (21) pp. 5691-5700. 10.1016/j.bmc.2018.10.015. Green open access
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Mohamed-Ahmed, AHA; Lockwood, A; Fadda, H; Madaan, S; Khaw, PT; Brocchini, S; Karu, K; (2018) LC-MS analysis to determine the biodistribution of a polymer coated ilomastat ocular implant. Journal of Pharmaceutical and Biomedical Analysis , 157 pp. 100-106. 10.1016/j.jpba.2018.05.017. Green open access
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Mohmmed, SA; Vianna, ME; Penny, MR; Hilton, ST; Mordan, NJ; Knowles, JC; (2018) Investigations into in situ Enterococcus faecalis biofilm removal by passive and active sodium hypochlorite irrigation delivered into the lateral canal of a simulated root canal model. International Endodontic Journal , 51 (6) pp. 649-662. 10.1111/iej.12880. Green open access
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Morozov, IG; Sathasivam, S; Belousova, OV; Parkin, IP; Kuznetcov, MV; (2018) Effect of synthesis conditions on room-temperature ferromagnetic properties of Mg-O nanoparticles. Journal of Alloys and Compounds , 765 pp. 343-354. 10.1016/j.jallcom.2018.06.211. Green open access
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Motherwell, WB; Moreno, RB; Pavlakos, I; Arendorf, JRT; Arif, T; Tizzard, GJ; Coles, SJ; (2018) Noncovalent Interactions of pi Systems with Sulfur: The Atomic Chameleon of Molecular Recognition. [Rapid communication]. Angewandte Chemie International Edition , 57 (5) pp. 1193-1198. 10.1002/anie.201708485. Green open access
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Motherwell, WB; Moreno, RB; Pavlakos, I; Arendorf, JRT; Arif, T; Tizzard, GJ; Coles, SJ; (2018) Noncovalent Interactions of π Systems with Sulfur - The Atomic Chameleon of Molecular Recognition. Angewandte Chemie , 130 (5) pp. 1207-1212. 10.1002/ange.201708485. Green open access
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Nadeem, IM; Harrison, GT; Wilson, A; Pang, CL; Zegenhagen, J; Thornton, G; (2018) Bridging Hydroxyls on Anatase TiO2(101) by Water Dissociation in Oxygen Vacancies. Journal of Physical Chemistry B , 122 (2) pp. 834-839. 10.1021/acs.jpcb.7b06955. Green open access
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Nadeem, IM; Treacy, JPW; Selcuk, S; Torrelles, X; Hussain, H; Wilson, A; Grinter, DC; ... Thornton, G; + view all (2018) Water Dissociates at the Aqueous Interface with Reduced Anatase TiO2 (101). J Phys Chem Lett , 9 (11) pp. 3131-3136. 10.1021/acs.jpclett.8b01182. Green open access
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Nadeem, MA; Idriss, H; (2018) Photo-thermal reactions of ethanol over Ag/TiO2 catalysts. The role of silver plasmon resonance in the reaction kinetics. Chemical Communications , 54 (41) pp. 5197-5200. 10.1039/c8cc01814f. Green open access
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Nair, HS; Kumar, CMN; Adroja, DT; Ritter, C; Wills, AS; Kockelmann, WA; Deen, PP; ... Strydom, AM; + view all (2018) Magnetic structure and field-dependent magnetic phase diagram of Ni2In-type PrCuSi. Journal of Physics: Condensed Matter , 30 (43) , Article 435803. 10.1088/1361-648X/aae28d. Green open access
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Newcombe, J; Chatzidaki, A; Sheppard, TD; Topf, M; Millar, NS; (2018) Diversity of nicotinic acetylcholine receptor positive allosteric modulators revealed by mutagenesis and a revised structural model. Molecular Pharmacology , 93 (2) pp. 128-140. 10.1124/mol.117.110551. Green open access
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Ng, WH; Lu, Y; Liu, H; Carmalt, C; Parkin, I; Kenyon, AJ; (2018) Controlling and modelling the wetting properties of III-V semiconductor surfaces using re-entrant nanostructures. Scientific Reports , 8 , Article 3544. 10.1038/s41598-018-21864-2. Green open access
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O'Malley, AJ; Sarwar, M; Armstrong, J; Catlow, CRA; Silverwood, IP; York, APE; Hitchcock, I; (2018) Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study. Physical Chemistry Chemical Physics , 20 (17) pp. 11976-11986. 10.1039/c8cp01022f. Green open access
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Oliveira Lourenco, CR; Macdonald, T; Gavriilidis, A; Allan, E; Macrobert, A; Parkin, I; (2018) Effects of bovine serum albumin on light activated antimicrobial surfaces. Rsc Advances , 8 pp. 34252-34258. 10.1039/c8ra04361b. Green open access
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Pathania, M; Acosta-Gutierrez, S; Bhamidimarri, SP; Basle, A; Winterhalter, M; Ceccarelli, M; van den Berg, B; (2018) Unusual Constriction Zones in the Major Porins OmpU and OmpT from Vibrio cholerae. Structure , 26 (5) pp. 708-721. 10.1016/j.str.2018.03.010. Green open access
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Patronis, A; Richardson, RA; Schmieschek, S; Wylie, BJN; Nash, RW; Coveney, PV; (2018) Modeling Patient-Specific Magnetic Drug Targeting Within the Intracranial Vasculature. Frontiers In Physiology , 9 , Article 331. 10.3389/fphys.2018.00331. Green open access
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Playford, HY; Whale, TF; Murray, B; Tucker, MG; Salzmann, CG; (2018) Analysis of stacking disorder in ice I using pair distribution functions. Journal of Applied Crystallography , 51 pp. 1211-1220. 10.1107/S1600576718009056. Green open access
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Ploszajski, AR; Billing, M; Cockcroft, JK; Skipper, NT; (2018) Crystalline structure of an ammonia borane-polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential. CrystEngComm , 20 (31) pp. 4436-4440. 10.1039/c8ce00872h. Green open access
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Ploszajski, AR; Billing, M; Nathanson, AS; Vickers, M; Bennington, SM; (2018) Freeze-dried ammonia borane-polyethylene oxide composites: Phase behaviour and hydrogen release. International Journal of Hydrogen Energy , 43 (11) pp. 5645-5656. 10.1016/j.ijhydene.2018.01.128. Green open access
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Ponja, SD; Williamson, BAD; Sathasivam, S; Scanlon, DO; Parkin, IP; Carmalt, CJ; (2018) Enhanced electrical properties of antimony doped tin oxide thin films deposited: Via aerosol assisted chemical vapour deposition. Journal of Materials Chemistry C , 6 (27) pp. 7257-7266. 10.1039/c8tc01929k. Green open access
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Pont, S; Foglia, F; Higgins, AM; Durrant, JR; Cabral, JT; (2018) Stability of Polymer:PCBM Thin Films under Competitive Illumination and Thermal Stress. Advanced Functional Materials , 28 (40) , Article 1802520. 10.1002/adfm.201802520. Green open access
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Potter, DB; Parkin, IP; Carmalt, CJ; (2018) The Effect of Solvent on Al-doped ZnO Thin Films Deposited via Aerosol Assisted CVD. RSC Advances , 8 (58) pp. 33164-33173. 10.1039/C8RA06417B. Green open access
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Potter, DB; Powell, MJ; Parkin, IP; Carmalt, CJ; (2018) Aluminium/gallium, indium/gallium, and aluminium/indium co-doped ZnO thin films deposited via aerosol assisted CVD. Journal of Materials Chemistry C , 6 (3) pp. 588-597. 10.1039/c7tc04003b. Green open access
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Powell, MJ; Williamson, BAD; Baek, SY; Manzi, J; Potter, DB; Scanlon, DO; Carmalt, CJ; (2018) Phosphorus doped SnO2 thin films for transparent conducting oxide applications: synthesis, optoelectronic properties and computational models. Chemical Science , 9 (41) pp. 7968-7980. 10.1039/c8sc02152j. Green open access
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Powner, MW; Islam, S; (2018) Protocells realize their potential. [Editorial comment]. Nature Catalysis , 1 pp. 569-570. 10.1038/s41929-018-0131-4. Green open access
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Powner, MW; Roberts, S; Stairs, S; Bucar, D; Szabla, R; Todd, Z; Šponer, J; (2018) Selective prebiotic conversion of pyrimidine and purine anhydronucleosides into Watson-Crick base-pairing arabino-furanosyl nucleosides in water. Nature Communications , 9 , Article 4073. 10.1038/s41467-018-06374-z. Green open access
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Price, SD; Kimber, H; Toscano, J; (2018) The surface reactivity of acrylonitrile with oxygen atoms on an analogue of interstellar dust grains. Monthly Notices of the Royal Astronomical Society , 476 (4) pp. 5332-5340. 10.1093/mnras/sty587. Green open access
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Price, SL; (2018) Control and prediction of the organic solid state: a challenge to theory and experiment. Proceedings of the Royal Society A: Mathematical Physical and Engineering Sciences , 474 (2217) , Article 20180351. 10.1098/rspa.2018.0351. Green open access
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Price, SL; (2018) Is zeroth order crystal structure prediction (CSP_0) coming to maturity? What should we aim for in an ideal crystal structure prediction code? Faraday Discussion , 211 pp. 9-30. 10.1039/c8fd00121a. Green open access
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Promontorio, R; Richard, J-A; Marson, CM; (2018) Late-stage fluorination of bridged scaffolds: chemoselective generation of a CHF group at three positions of the bicyclo[3.3.1]nonane system. Tetrahedron Letters , 59 (13) pp. 1226-1229. 10.1016/j.tetlet.2018.02.038. Green open access
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Pugh, GC; Burns, JR; Howorka, S; (2018) Comparing proteins and nucleic acids for next-generation biomolecular engineering. Nature Reviews Chemistry , 2 (7) pp. 113-130. 10.1038/s41570-018-0015-9. Green open access
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Quesne, MG; Roldan, A; De Leeuw, NH; Catlow, CRA; (2018) Bulk and surface properties of metal carbides: Implications for catalysis. Physical Chemistry Chemical Physics , 20 (10) pp. 6905-6916. 10.1039/c7cp06336a. Green open access
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Rabee, AIM; Manayil, JC; Isaacs, MA; Parlett, CMA; Durndell, LJ; Zaki, MI; Lee, AF; (2018) On the impact of the preparation method on the surface basicity of Mg–Zr mixed oxide catalysts for tributyrin transesterification. Catalysts , 8 (6) , Article 228. 10.3390/catal8060228. Green open access
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Rahaman, A; Lisensky, G; Tocher, DA; Richmond, M; Hogarth, G; Nordlander, E; (2018) Synthesis and molecular properties of the 52-electron triiron telluride clusters [Fe3(CO)8(u-Te)2(k2-diphosphine)] - Electrochemical properties and activity as proton reduction catalysts. Journal of Organometallic Chemistry 10.1016/j.organchem.2018.03.038. (In press). Green open access
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Raine, E; Clark, AH; Smales, G; Smith, A; Gianolio, D; Li, T; Zheng, J; ... Tsang, SCE; + view all (2018) Synthesis and Characterization of Platinum Nanoparticle Catalysts Capped with Isolated Zinc Species in SBA-15 cChannels: The Wall Effect. ACS Applied Nano Materials , 1 (12) pp. 6603-6612. 10.1021/acsanm.8b01357. Green open access
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Regoutz, A; Mascheck, M; Wiell, T; Eriksson, SK; Liljenberg, C; Tetzner, K; Williamson, BAD; ... Palmgren, P; + view all (2018) A novel laboratory-based hard X-ray photoelectron spectroscopy system. Review of Scientific Instruments , 89 (7) , Article 073105. 10.1063/1.5039829. Green open access
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Richard, CJ; Macmillan, D; Hogarth, G; (2018) Microwave-assisted synthesis of cyclopentadienone iron tricarbonyl complexes: molecular structures of [{eta(4)-C4R2C(O)C4H8}Fe(CO)(3)] (R = Ph, 2,4-F2C6H3, 4-MeOC6H4) and attempts to prepare Fe(II) hydroxycyclopentadienyl-hydride complexes. Transition Metal Chemistry , 43 (5) pp. 421-430. 10.1007/s11243-018-0229-1. Green open access
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Riley, J; Wang, B; Woodhouse, J; Assmann, M; Worth, GA; Fielding, HH; (2018) Unravelling the Role of an Aqueous Environment on the Electronic Structure and Ionisation of Phenol Using Photoelectron Spectroscopy. The Journal of Physical Chemistry Letters , 9 (4) pp. 678-682. 10.1021/acs.jpclett.7b03310. Green open access
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Robertson, C; Worth, GA; (2018) Modelling the non-radiative singlet excited state isomerization of diphenyl-acetylene: A vibronic coupling model. Chemical Physics , 510 pp. 17-29. 10.1016/j.chemphys.2018.04.020. Green open access
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Rogers, S; Catlow, CRA; Gianolio, D; Wells, PP; Dimitratos, N; (2018) Supported metal nanoparticles with tailored catalytic properties through sol-immobilisation: applications for the hydrogenation of nitrophenols. Faraday Discussions , 208 pp. 443-454. 10.1039/c7fd00216e. Green open access
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Roman, M; Dunn, A; Taj, S; Keolopile, ZG; Rosu-Finsen, A; Gutowski, M; McCoustra, MRS; ... Field, D; + view all (2018) Assigning a structural motif using spontaneous molecular dipole orientation in thin films. Physical Chemistry Chemical Physics , 20 (46) pp. 29038-29044. 10.1039/c8cp06010j. Green open access
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Rosillo-Lopez, M; Salzmann, CG; (2018) Detailed Investigation into the Preparation of Graphene Oxide by Dichromate Oxidation. ChemistrySelect , 3 (24) pp. 6972-6978. 10.1002/slct.201801594. Green open access
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Rosillo-Lopez, M; Salzmann, CG; (2018) Highly efficient heavy-metal extraction from water with carboxylated graphene nanoflakes. RSC Advances , 8 (20) pp. 11043-11050. 10.1039/c8ra00823j. Green open access
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Rosu-Finsen, A; McCoustra, MRS; (2018) Impact of oxygen chemistry on model interstellar grain surfaces. Physical Chemistry Chemical Physics , 20 (8) pp. 5368-5376. 10.1039/c7cp05480g. Green open access
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Rosu-Finsen, A; Salzmann, CG; (2018) Benchmarking acid and base dopants with respect to enabling the ice V to XIII and ice VI to XV hydrogen-ordering phase transitions. The Journal of Chemical Physics , 148 (24) , Article 244507. 10.1063/1.5022159. Green open access
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Rzepa, HS; Arkhipenko, S; Wan, E; Sabatini, MT; Karaluka, V; Whiting, A; Sheppard, TD; (2018) An Accessible Method for DFT Calculation of 11B NMR Shifts of Organoboron Compounds. Journal of Organic Chemistry , 83 (15) pp. 8020-8025. 10.1021/acs.joc.8b00859. Green open access
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Samanta, S; Bodrenko, I; Acosta-Gutierrez, S; D'Agostino, T; Pathania, M; Ghai, I; Schleberger, C; ... Ceccarelli, M; + view all (2018) Getting Drugs through Small Pores: Exploiting the Porins Pathway in Pseudomonas aeruginosa. ACS Infectious Diseases , 4 (10) pp. 1519-1528. 10.1021/acsinfecdis.8b00149. Green open access
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Sanchez-Perez, C; Knapp, CE; Colman, RH; Sotelo-Vazquez, C; Oilunkaniemi, R; Laitinen, RS; Carmalt, CJ; (2018) Accessing new 2D semiconductors with optical band gap: synthesis of iron-intercalated titanium diselenide thin films via LPCVD. RSC Advances , 8 (40) pp. 22552-22558. 10.1039/c8ra03174f. Green open access
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Sella, A; (2018) Couette’s Cell. Chemistry World Green open access
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Xu, S; Zhao, H; Xu, Y; Xu, R; Lei, Y; (2018) Carrier Mobility-Dominated Gas Sensing: A Room-Temperature Gas-Sensing Mode for SnO₂ Nanorod Array Sensors. ACS Applied Materials & Interfaces , 10 (16) pp. 13895-13902. 10.1021/acsami.8b03953. Green open access
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Yu, H; Dalby, P; (2018) Exploiting correlated molecular-dynamics networks to counteract enzyme activity–stability trade-off. Proceedings of the National Academy of Sciences of the United States of America , 115 (52) E12192-E12200. 10.1073/pnas.1812204115. Green open access
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Yu, H; Dalby, PA; (2018) Coupled molecular dynamics mediate long- and short-range epistasis between mutations that affect stability and aggregation kinetics. Proceedings of the National Academy of Sciences of the United States of America , 115 (47) E11043-E11052. 10.1073/pnas.1810324115. Green open access
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Zhang, X; Zhi, D; Sun, L; Zhao, Y; Tiwari, MK; Carmalt, CJ; Parkin, IP; (2018) Super-durable, non-fluorinated superhydrophobic free-standing items. Journal of Materials Chemistry A , 6 (2) pp. 357-362. 10.1039/C7TA08895G. Green open access
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Zhao, T; Gadipelli, S; He, G; Ward, M; Do, D; Zhang, P; Guo, Z; (2018) Tunable Bifunctional Activity of MnxCo3-xO4 Nanocrystals Decorated at Carbon Nanotubes for Oxygen Electrocatalysis. ChemSusChem , 11 pp. 1295-1304. 10.1002/cssc.201800049. Green open access
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Zuilhof, H; (2018) Nucleic Acids Nanoscience at Interfaces Special Issue. Langmuir , 34 (49) p. 14691. 10.1021/acs.langmuir.8b03903. Green open access
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Zwijnenburg, MA; Draper, E; Archibald, L; Nolan, M; Schweins, R; Sproules, S; Adams, D; (2018) Controlling Photoconductivity in PBI Films by Supramolecular Assembly. Chemistry - A European Journal , 24 (16) pp. 4006-4010. 10.1002/chem.201800201. Green open access
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Book chapter

Cain, A; Bartlett, P; Wills, A; (2018) Learning from ‘front-line’ research and research based learning. In: Davies, J and Pachler, N, (eds.) Teaching and Learning in Higher Education: Perspectives from UCL. UCL IoE Press: London, UK. Green open access
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Sankar, Gopinathan; Sanchez-Sanchez, Manuel; (2018) Metal-Substituted Microporous Aluminophosphates. In: Pariente, JP and SanchezSanchez, M, (eds.) Structure and Reactivity of Metals in Zeolite Materials. (pp. 251-303). Springer Nature: Cham, Switzerland. Green open access
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Proceedings paper

Balbastre, Y; Brudfors, M; Bronik, K; Ashburner, J; (2018) Diffeomorphic brain shape modelling using Gauss-Newton optimisation. In: Frangi, AF and Schnabel, JA and Davatzikos, C and Alberola-López, C, (eds.) Medical Image Computing and Computer Assisted Intervention – MICCAI 2018. (pp. pp. 862-870). Springer: Cham, Switzerland. Green open access
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Callegari, A; Andac, T; Weigmann, P; Velu, SKP; Pince, E; Volpe, G; Volpe, G; (2018) Active Matter Alters the Growth Dynamics of Coffee Rings. In: Proceedings of the Latin America Optics and Photonics Conference. The Optical Society Green open access
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Dakka, J; Farkas-Pall, K; Balasubramanian, V; Turilli, M; Wan, S; Wright, DW; Zasada, S; ... Jha, S; + view all (2018) Enabling trade-offs between accuracy and computational cost: Adaptive algorithms to reduce time to clinical insight. In: (Proceedings) 2018 18th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGRID). (pp. pp. 572-577). IEEE: Washington DC, USA. Green open access
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Dakka, J; Farkas-Pall, K; Turilli, M; Wright, DW; Coveney, PV; Jha, S; (2018) Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations. In: Proceedings of IEEE 14th International Conference on e-Science (e-Science) 2018. (pp. pp. 189-200). IEEE: Danvers (MA), USA. Green open access
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Elimbinzi, E; Nyandoro, SS; Mubofu, EB; Osatiashtiani, A; Manayil, JC; Isaacs, MA; Lee, AF; (2018) Synthesis of amine functionalized mesoporous silicas templated by castor oil for transesterification. In: (pp. pp. 2261-2269). Materials Research Society Green open access
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Fang, G; Tu, W; Zhu, Y; Zhang, M; (2018) Autogenous Shrinkage of Alkali-activated Fly Ash-slag Pastes With and Without SAP. In: Proceedings of the 4th International Conference on Service Life Design for Infrastructures 2018:SLD 4. RILEM: Delft, the Netherlands. (In press). Green open access
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Liu, C; Zhang, M; Fang, G; Bai, Y; Zhang, Y; (2018) Modelling of capillary pore structure evolution in Portland cement pastes based on irregular-shaped cement particles. In: Basheer, P, (ed.) 6th International Conference on Durability of Concrete Structures, ICDCS 2018. (pp. pp. 771-780). ICDCS: Leeds, UK. Green open access
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Mazibuko, AF; Chauke, HR; Ngoepe, PE; Catlow, CRA; (2018) Interatomic potential parameters for Li-Cl-Ti interaction. In: IOP Conference Series: Materials Science and Engineering. IOP Green open access
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Silverwood, IP; Arán, MA; González, IL; Kroner, A; Beale, AM; (2018) QENS study of methane diffusion in Mo/H-ZSM-5 used for the methane dehydroaromatisation reaction. In: Fernandez-Alonso,, Felix and Price,, David L. and Grzimek,, Veronika and Lohstroh,, Wiebke and Schneidewind, Astrid and Russina, Margarita, (eds.) Proceedings of the Joint Conference on Quasielastic Neutron Scattering and the Workshop on Inelastic Neutron Spectrometers Qens/Wins 2016: Probing Nanoscale Dynamics in Energy Related Materials. (pp. 030002-1-030002-9). AIP: Potsdam, Germany. Green open access
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Swallow, JEN; Williamson, BAD; Birkett, M; Abbott, A; Farnworth, M; Featherstone, TJ; Peng, N; ... Veal, TD; + view all (2018) A hard x-ray photoemission study of transparent conducting fluorine-doped tin dioxide. In: 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion (WCPEC) (A Joint Conference of 45th IEEE PVSC, 28th PVSEC & 34th EU PVSEC). (pp. pp. 3051-3055). IEEE: Waikoloa Village, HI, USA. Green open access
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Poster

Oliveira Lourenco, CR; Parkin, IP; Allan, E; Macrobert, A; Bradshaw, D; (2018) Antibiofilm Effects of Peroxide and Reactive Oxygen: Chemistry and Microbiology. Presented at: 2018 IADR/PER General Session (London, England), London, England. Green open access
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Potts, SE; Ali, S; (2018) Evaluation of a New Interactive First-Year Undergraduate Symmetry Coursework Activity. Presented at: Variety in Chemistry Education / Physics Higher Education Conference (VICEPHEC) 2018, Sheffield, UK. Green open access
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Potts, SE; Ali, S; (2018) Rethinking Assessment of First-Year Undergraduate Symmetry with E-Learning Techniques: Evaluation. Presented at: UCL Education Conference 2018, London, UK. Green open access
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Thesis

Bauer, Dustin; (2018) Continuous Hydrothermal Synthesis of Pseudocapacitive Nanomaterials for High Power Electrochemical Energy Storage. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Beekmeyer, Reece; (2018) Applicability of the Restricted Active Space Self Consistent Field Methodology to problems in transition metal and f-element. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Bell, Gavin S.; (2018) Developments of iron oxide nanoparticles for magnetic thermotherapy and multimodal imaging. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Bhati, Agastya Prakash; (2018) Rapid, Accurate, Precise and Reproducible Binding Affinity Calculations using Ensembles of Molecular Dynamics Simulations. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Chaopradith, Dominic; (2018) Defect structure & catalytic activity of yttria-stabilised zircona. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Choi, DongWoong; (2018) Novel Materials for Energy Storage Devices. Doctoral thesis (Ph.D), UCL (University College London).

Clout, AE; (2018) Studying Phase Transitions and Co-crystallisation in Pharmaceutical Materials. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Dicks, Oliver A.; (2018) Computational modelling of defects and charge trapping in amorphous and crystalline metal oxides. Doctoral thesis (Eng.D), UCL (University College London). Green open access
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Dunbabin, Alice; (2018) Integrated heterogeneous catalysis and biocatalysis for sustainable synthesis. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Forte, Nafsika; (2018) New Strategies for Cysteine Bioconjugation and Protein Cross-Linking. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Freeman, David Martin Eric; (2018) Manipulating triplets in organic semiconductors. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Ganose, Alex; (2018) Atomic-scale insights into emergent photovoltaic absorbers. Doctoral thesis (Eng.D), UCL (University College London). Green open access
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Godfrey, Ian; (2018) Synthesis, structure and catalytic applications of monometallic and bimetallic gold-silver nanomaterials. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Gupta, Kalyani S.; (2018) Nanocatalysts for the electrochemical reduction of carbon dioxide to fuels. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Hayes, Theodore; (2018) A Novel Enediyne Synthesis from Alkynyl Sulfonamides via Non-Classical Carbenoids. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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He, Guanjie; (2018) Design of nanostructures and hybrids of transition metal derivatives for energy storage applications. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Hwang, Gi-Byoung; (2018) Bactericidal surfaces with nanoparticles and light activated agents to inhibit healthcare associated infections. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Hylton, Rebecca Kathryn; (2018) Crystal structure prediction and thermodynamic modelling of chiral molecules. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Khara, Galvin; (2018) Modelling the effects of swift heavy ion irradiation on metals and band gap materials. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Lee, Maximillian; (2018) Pyridazinediones: versatile scaffolds for site-selective protein modification. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Lubke, Mechthild; (2018) Nano-sized Transition Metal Oxide Negative Electrode Materials for Lithium-ion Batteries. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Mancardi, Giulia; (2018) Computational Study of the Nucleation of Calcium Phosphate. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Mitchell, Serena; (2018) Semisynthetic lantibiotics - simplicity, stability, specificity. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Nadeem, Immad Muhammed; (2018) Surface and Interfacial Nanoscience of Titanium Dioxide. Doctoral thesis (Eng.D), UCL (University College London). Green open access
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Newcombe, Joseph; (2018) Nicotinic acetylcholine receptors and their interactions with allosteric ligands. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Newgas, Sophie Alice; (2018) Biocatalysis using plant and metagenomic enzymes for organic synthesis. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Parker, Qamreen; (2018) Molecular simulations of ionic liquids for CO₂ capture. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Ponja, Sapna D; (2018) Metal oxide thin films for optoelectronic applications. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Potter, Dominic; (2018) Zinc-Based Thin Films for Transparent Conducting Oxide Applications. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Quesada-Gonzalez, Miguel; (2018) Synthesis and characterisation of B-TiO₂ thin films by atmospheric pressure chemical vapour deposition and plasma enhanced chemical vapour deposition: functional films for different substrates. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Robinson, Ben William; (2018) The Production of Photocatalytic Titania Films by Suspension Spray and Low Pressure Coating. Doctoral thesis (Eng.D), UCL (University College London).

Rosillo-Lopez, Martin; (2018) Preparation, chemistry and applications of novel carbon nanomaterials. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Savory, Christopher N; (2018) A Theoretical Exploration of Emerging Solar Absorber Materials. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Teixeira Gomez, Diana C; (2018) Particle size, morphology, phase transition and energy efficient applications of hydrothermally produced VO2(D). Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Ware, Oliver; (2018) The 1,5- Hydride Shift as a Route into Nitro-Mannich Cyclisation. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Williamson, BAD; (2018) Understanding the Electronic and Thermodynamic Properties of Wide Band Gap Materials. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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This list was generated on Sun Apr 21 23:35:08 2024 BST.