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Article

Abacha, Yabalu Z; Forkuo, Arnold Donkor; Gbedema, Stephen Y; Mittal, Nimisha; Ottilie, Sabine; Rocamora, Frances; Winzeler, Elizabeth A; ... Wright, Colin W; + view all (2022) Semi-Synthetic Analogues of Cryptolepine as a Potential Source of Sustainable Drugs for the Treatment of Malaria, Human African Trypanosomiasis, and Cancer. Frontiers in Pharmacology , 13 , Article 875647. 10.3389/fphar.2022.875647. Green open access
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Abdul Nasir, Jamal; Guan, Jingcheng; Keal, Thomas W; Desmoutier, Alec W; Lu, You; Beale, Andrew M; Catlow, C Richard A; (2022) Influence of Solvent on Selective Catalytic Reduction of Nitrogen Oxides with Ammonia over Cu-CHA Zeolite. Journal of the American Chemical Society 10.1021/jacs.2c09823. (In press). Green open access
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Acosta-Gutiérrez, Silvia; Matias, Diana; Avila-Olias, Milagros; Gouveia, Virginia M; Scarpa, Edoardo; Forth, Joe; Contini, Claudia; ... Battaglia, Giuseppe; + view all (2022) A Multiscale Study of Phosphorylcholine Driven Cellular Phenotypic Targeting. ACS Central Science 10.1021/acscentsci.2c00146. (In press). Green open access
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Ahmadi, Delaram; Thompson, Katherine C; Garcia Sakai, Victoria; Schweins, Ralf; Moulin, Martine; Haertlein, Michael; Strohmeier, Gernot A; ... Foglia, Fabrizia; + view all (2022) Nanoscale Structure and Dynamics of Model Membrane Lipid Raft Systems, Studied by Neutron Scattering Methods. Frontiers in Physics , 10 , Article 864746. 10.3389/fphy.2022.864746. Green open access
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Ahmed, Nehaal; Spears, Richard J; Sheppard, Tom D; Chudasama, Vijay; (2022) Functionalisation of ethereal-based saturated heterocycles with concomitant aerobic C–H activation and C–C bond formation. Chemical Science 10.1039/d2sc01626e. (In press). Green open access
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Anderson, SL; Boyd, PG; Gładysiak, A; Nguyen, TN; Palgrave, RG; Kubicki, D; Emsley, L; ... Stylianou, KC; + view all (2022) Reply to “Inconsistencies in the specific nucleobase pairing motif prone to photodimerization in a MOF nanoreactor”. Nature Communications , 13 , Article 4486. 10.1038/s41467-022-30193-y. Green open access
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Antonelli, Tommaso; Rahim, Warda; Watson, Matthew D; Rajan, Akhil; Clark, Oliver J; Danilenko, Alisa; Underwood, Kaycee; ... King, Phil DC; + view all (2022) Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2. npj Quantum Materials , 7 , Article 98. 10.1038/s41535-022-00508-9. Green open access
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Armenta Butt, Sam; Price, Stephen; (2022) Bimolecular reactions of CH2CN2+ with Ar, N2 and CO: reactivity and dynamics. Physical Chemistry Chemical Physics 10.1039/d2cp01523d. (In press). Green open access
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Armenta Butt, Sam; Price, Stephen D; (2022) Bimolecular reactions of S2+ with Ar, H2 and N2: reactivity and dynamics. Physical Chemistry Chemical Physics 10.1039/d1cp05397c. Green open access
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Ashton, Thomas E; Baker, Peter J; Shakespeare, Yiana S; Commandeur, Daniel; Darr, Jawwad A; (2022) Phase Evolution and Li Diffusion in LATP Solid-State Electrolyte Synthesized via a Direct Heat-Cycling Method. Advanced Energy and Sustainability Research , Article 2200017. 10.1002/aesr.202200017. (In press). Green open access
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Bahou, Calise; Chudasama, Vijay; (2022) The use of bromopyridazinedione derivatives in chemical biology. Organic & Biomolecular Chemistry 10.1039/d2ob00310d. (In press). Green open access
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Bai, Yang; Li, Chao; Liu, Lunjie; Yamaguchi, Yuichi; Bahri, Mounib; Yang, Haofan; Gardner, Adrian; ... Sprick, Reiner Sebastian; + view all (2022) Photocatalytic overall water splitting under visible light enabled by a particulate conjugated polymer loaded with iridium. Angewandte Chemie International Edition , 61 (26) , Article e202201299. 10.1002/anie.202201299. Green open access
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Bakewell, Clare; Hobson, Katie; Carmalt, Claire J; (2022) Exploring Equilibria between Aluminium(I) and Aluminium(III): The Formation of Dihydroalanes, Masked Dialumenes and Aluminium(I) Species. Angewandte Chemie International Edition , Article e202205901. 10.1002/anie.202205901. (In press). Green open access
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Balliou, A; Papadimitropoulos, G; Regoutz, A; Davazoglou, D; Kouvatsos, DN; (2022) Low-Cost, High-Gain MoS2 FETs from Amorphous Low-Mobility Film Precursors. ACS Applied Electronic Materials , 4 (3) pp. 1175-1185. 10.1021/acsaelm.1c01253. Green open access
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Baud, Damien; Tappertzhofen, Nadine; Moody, Thomas S; Ward, John M; Hailes, Helen C; (2022) Stereoselective Transaminase-Mediated Synthesis of Serotonin and Melatonin Receptor Agonists. Advanced Synthesis & Catalysis 10.1002/adsc.202200146. (In press). Green open access
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Bertram, Lauren; Roberts, Samuel J; Powner, Matthew W; Szabla, Rafał; (2022) Photochemistry of 2-thiooxazole: a plausible prebiotic precursor to RNA nucleotides. Physical Chemistry Chemical Physics 10.1039/d2cp03167a. (In press). Green open access
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Bhati, Agastya P; Coveney, Peter V; (2022) Large Scale Study of Ligand-Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols. Journal of Chemical Theory and Computation 10.1021/acs.jctc.1c01288. (In press). Green open access
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Bhide, Malavika A; Carmalt, Claire J; Knapp, Caroline E; (2022) Ethyl Zinc β-Ketoiminates and β-Amidoenoates: Influence of Precursor Design on the Properties of Highly Conductive Zinc Oxide Thin Films from Aerosol-Assisted Chemical Vapour Deposition. Chempluschem , 87 (4) , Article e202100537. 10.1002/cplu.202100537. Green open access
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Bi, F; Su, Y; Zhang, Y; Chen, M; Darr, JA; Weng, X; Wu, Z; (2022) Vacancy-defect semiconductor quantum dots induced an S-scheme charge transfer pathway in 0D/2D structures under visible-light irradiation. Applied Catalysis B: Environmental , 306 , Article 121109. 10.1016/j.apcatb.2022.121109. Green open access
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Birrozzi, A; Mullaliu, A; Eisenmann, T; Asenbauer, J; Diemant, T; Geiger, D; Kaiser, U; ... Bresser, D; + view all (2022) Synergistic Effect of Co and Mn Co-Doping on SnO2 Lithium-Ion Anodes. Inorganics , 10 (4) , Article 46. 10.3390/inorganics10040046. Green open access
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Birrozzi, Adele; Bautista, Sebastian Pinto; Asenbauer, Jakob; Eisenmann, Tobias; Ashton, Thomas E; Groves, Alexandra R; Starkey, Chris; ... Bresser, Dominic; + view all (2022) Toward the Potential Scale-Up of Sn_{0.9}Mn_{0.1}O_{2}‖LiNi_{0.6}Mn_{0.2}Co{0.2}O_{2} Li-Ion Batteries – Powering a Remote-Controlled Vehicle and Life Cycle Assessment. Advanced Materials Technologies , Article 2200353. 10.1002/admt.202200353. (In press). Green open access
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Boles, Jessica E; Bennett, Charlotte; Baker, Jennifer; Hilton, Kira LF; Kotak, Hiral A; Clark, Ewan R; Long, Yifan; ... Hiscock, Jennifer R; + view all (2022) Establishing the selective phospholipid membrane coordination, permeation and lysis properties for a series of 'druggable' supramolecular self-associating antimicrobial amphiphiles. Chemical Science , 2022 (13) pp. 9761-9773. 10.1039/d2sc02630a. Green open access
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Borsatto, Alberto; Akkad, Obaeda; Galdadas, Ioannis; Ma, Shumeng; Damfo, Shymaa; Haider, Shozeb; Kozielski, Frank; ... Gervasio, Francesco Luigi; + view all (2022) Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other β-coronaviruses by simulations and crystallography. eLife , 11 , Article e81167. 10.7554/eLife.81167. Green open access
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Bramley, OA; Hele, TJH; Shalashilin, DV; (2022) Electronic energies from coupled fermionic "Zombie" states' imaginary time evolution. The Journal of chemical physics , 156 (17) , Article 174116. 10.1063/5.0086058. Green open access
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Brlec, Katarina; Kavanagh, Seán R; Savory, Christopher N; Scanlon, David O; (2022) Understanding the Photocatalytic Activity of La5Ti2AgS5O7 and La5Ti2CuS5O7 for Green Hydrogen Production: Computational Insights. ACS Applied Energy Materials , 5 (2) pp. 1992-2001. 10.1021/acsaem.1c03534. Green open access
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Brlec, Katarina; Spooner, Kieran B; Skelton, Jonathan M; Scanlon, David O; (2022) Y2Ti2O5S2 – a promising n-type oxysulphide for thermoelectric applications. Journal of Materials Chemistry A 10.1039/d2ta04160j. (In press). Green open access
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Caltagirone, Claudia; Draper, Emily R; Leigh, Jennifer S; Haynes, Cally JE; Hiscock, Jennifer R; McConnell, Anna J; (2022) Editorial: International Women of Supramolecular Chemistry. Frontiers in Chemistry , 10 , Article 854085. 10.3389/fchem.2022.854085. Green open access
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Catlow, CRA; Henry, L; Ngila, C; Taylor, M; (2022) Preface to 'Developing resilient energy systems'. Philosophical transactions. Series A, Mathematical, physical, and engineering sciences , 380 (2221) , Article 20210131. 10.1098/rsta.2021.0131. Green open access
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Chen, Faze; Wang, Yaquan; Tian, Yanling; Zhang, Dawei; Song, Jinlong; Crick, Colin R; Carmalt, Claire J; ... Lu, Yao; + view all (2022) Robust and durable liquid-repellent surfaces. Chemical Society Reviews , 51 (20) pp. 8476-8583. 10.1039/d0cs01033b. Green open access
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Chen, R; Tang, H; He, P; Zhang, W; Dai, Y; Zong, W; Guo, F; ... Wang, X; + view all (2022) Interface Engineering of Biomass-Derived Carbon used as Ultrahigh-Energy-Density and Practical Mass-Loading Supercapacitor Electrodes. Advanced Functional Materials 10.1002/adfm.202212078. (In press). Green open access
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Chen, Ruwei; Tang, Hao; Dai, Yuhang; Zong, Wei; Zhang, Wei; He, Guanjie; Wang, Xiaohui; (2022) Robust Bioinspired MXene–Hemicellulose Composite Films with Excellent Electrical Conductivity for Multifunctional Electrode Applications. ACS Nano 10.1021/acsnano.2c08163. (In press). Green open access
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Choi, JW; Shin, B; Gorai, P; Hoye, RLZ; Palgrave, R; (2022) Emerging Earth-Abundant Solar Absorbers. ACS Energy Letters , 7 (4) pp. 1553-1557. 10.1021/acsenergylett.2c00516. Green open access
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Choi, Yong-Seok; Costa, Sara IR; Tapia-Ruiz, Nuria; Scanlon, David O; (2022) Intrinsic Defects and Their Role in the Phase Transition of Na-Ion Anode Na<sub>2</sub>Ti<sub>3</sub>O<sub>7</sub>. ACS Applied Energy Materials 10.1021/acsaem.2c03466. (In press). Green open access
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Chrzastek, Alina; Thanasi, Ioanna A; Irving, James A; Chudasama, Vijay; Baker, James R; (2022) Dual reactivity disulfide bridging reagents; enabling new approaches to antibody fragment bioconjugation. Chemical Science 10.1039/d2sc04531a. Green open access
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Coonjobeeharry, J; Spinlove, KE; Sanz Sanz, C; Sapunar, M; Došlić, N; Worth, GA; (2022) Mixed-quantum-classical or fully-quantized dynamics? A unified code to compare methods. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 380 (2223) , Article 20200386. 10.1098/rsta.2020.0386. Green open access
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Cowen, Lewis M; Gilhooly-Finn, Peter A; Giovannitti, Alexander; LeCroy, Garrett; Demetriou, Harry; Neal, William; Dong, Yifan; ... Schroeder, Bob C; + view all (2022) Critical analysis of self-doping and water-soluble n-type organic semiconductors: structures and mechanisms. Journal of Materials Chemistry C , 10 pp. 8955-8963. 10.1039/d2tc01108e. Green open access
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Crawley, James WM; Gow, Isla E; Lawes, Naomi; Kowalec, Igor; Kabalan, Lara; Catlow, C Richard A; Logsdail, Andrew J; ... Hutchings, Graham J; + view all (2022) Heterogeneous Trimetallic Nanoparticles as Catalysts. Chemical Reviews 10.1021/acs.chemrev.1c00493. (In press). Green open access
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Cui, Junyi; Daboczi, Matyas; Regue, Miriam; Chin, Yi‐Chun; Pagano, Katia; Zhang, Jifang; Isaacs, Mark A; ... Eslava, Salvador; + view all (2022) 2D Bismuthene as a Functional Interlayer between BiVO_{4} and NiFeOOH for Enhanced Oxygen-Evolution Photoanodes. Advanced Functional Materials , Article 2207136. 10.1002/adfm.202207136. (In press). Green open access
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Daisley, Angela; Higham, Michael; Catlow, C Richard A; Hargreaves, Justin SJ; (2022) Experimental and theoretical investigations on the anti-perovskite nitrides Co3CuN, Ni3CuN and Co3MoN for ammonia synthesis. Faraday Discussions 10.1039/d2fd00151a. (In press). Green open access
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Danilov, Don; Tran, Thierry; Bearpark, Michael J; Marangos, Jonathan P; Worth, Graham; Robb, Michael A; (2022) How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation. The Journal of Chemical Physics 10.1063/5.0093780. (In press). Green open access
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Das, Partha Pratim; Plana-Ruiz, Sergi; Galanis, Athanassios S; Stewart, Andrew; Karavasili, Fotini; Nicolopoulos, Stavros; Putz, Holger; ... Iezzi, Gianluca; + view all (2022) Structure Determination Feasibility of Three-Dimensional Electron Diffraction in Case of Limited Data. Symmetry , 14 (11) p. 2355. 10.3390/sym14112355. Green open access
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de la Hidalga, Abraham Nieva; Goodall, Josephine; Anyika, Corinne; Matthews, Brian; Catlow, C Richard A; (2022) Designing a data infrastructure for catalysis science aligned to FAIR data principles. Catalysis Communications , 162 , Article 106384. 10.1016/j.catcom.2021.106384. Green open access
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de la Hidalga, AN; Decarolis, D; Xu, S; Matam, S; Enciso, WYH; Goodall, J; Matthews, B; (2022) A Workflow Demonstrator for Processing Catalysis Research Data. Data Intelligence , 4 (2) pp. 455-470. 10.1162/dint_a_00143. Green open access
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Debgupta, Joyashish; Lari, Leonardo; Isaacs, Mark; Carey, John; McKenna, Keith P; Lazarov, Vlado K; Chechik, Victor; (2022) Predictive Removal of Interfacial Defect-Induced Trap States between Titanium Dioxide Nanoparticles via Sub-Monolayer Zirconium Coating. The Journal of Physical Chemistry C 10.1021/acs.jpcc.2c06927. (In press). Green open access
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Delarmelina, Maicon; Carneiro, Jose Walkimar de M; Catlow, C Richard A; Buhl, Michael; (2022) Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds. Catalysis Communications , 162 , Article 106385. 10.1016/j.catcom.2021.106385. Green open access
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Delarmelina, Maicon; Catlow, C Richard A; (2022) Cation-doping strategies for tuning of zirconia acid-base properties. Royal Society Open Science , 9 (2) , Article 211423. 10.1098/rsos.211423. Green open access
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Dey, Diptesh; Kuleff, Alexander I; Worth, Graham A; (2022) Quantum Interference Paves the Way for Long-Lived Electronic Coherences. Physical Review Letters , 129 (17) , Article 173203. 10.1103/physrevlett.129.173203. Green open access
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Dey, Swarup; Dorey, Adam; Abraham, Leeza; Xing, Yongzheng; Zhang, Irene; Zhang, Fei; Howorka, Stefan; (2022) A reversibly gated protein-transporting membrane channel made of DNA. Nature Communications , 13 (1) , Article 2271. 10.1038/s41467-022-28522-2. Green open access
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Di Gaetano, S; Pirone, L; Galdadas, I; Traboni, S; Iadonisi, A; Pedone, E; Saviano, M; ... Capasso, D; + view all (2022) Design, Synthesis, and Anticancer Activity of a Selenium‐Containing Galectin‐3 and Galectin‐9N Inhibitor. International Journal of Molecular Sciences , 23 (5) , Article 2581. 10.3390/ijms23052581. Green open access
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Dinesen, Anders; Winther, Alexander; Wall, Archie; Märcher, Anders; Palmfeldt, Johan; Chudasama, Vijay; Wengel, Jesper; ... Howard, Kenneth A; + view all (2022) Albumin Biomolecular Drug Designs Stabilized through Improved Thiol Conjugation and a Modular Locked Nucleic Acid Functionalized Assembly. Bioconjugate Chemistry , 33 (2) pp. 333-342. 10.1021/acs.bioconjchem.1c00561. Green open access
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Dong, J; Wang, D; Peng, Y; Zhang, C; Lai, F; He, G; Ma, P; ... Liu, T; + view all (2022) Ultra-stretchable and superhydrophobic textile-based bioelectrodes for robust self-cleaning and personal health monitoring. Nano Energy , 97 , Article 107160. 10.1016/j.nanoen.2022.107160. Green open access
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Dumon, Alexandre S; Rzepa, Henry S; Alamillo-Ferrer, Carla; Bures, Jordi; Procter, Richard; Sheppard, Tom D; Whiting, Andrew; (2022) A computational tool to accurately and quickly predict ¹⁹F NMR chemical shifts of molecules with fluorine–carbon and fluorine–boron bonds. Physical Chemistry Chemical Physics 10.1039/d2cp02317b. (In press). Green open access
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Eddleston, MD; Chow, EHH; Bučar, DK; Thakuria, R; (2022) Crystal surface defects as possible origins of cocrystal dissociation. CrystEngComm , 24 (28) pp. 5031-5035. 10.1039/d2ce00166g. Green open access
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Edgar, JO; Gould, JA; Badreshany, K; Telling, J; (2022) Mechanochemical generation of perchlorate. Icarus , 387 , Article 115202. 10.1016/j.icarus.2022.115202. Green open access
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Farmer, Daniela M; Jacques, Simon DM; Waller, David; Boullosa Eiras, Sara; Roy, Kanak; Held, Georg; Sankar, Gopinathan; (2022) Following Cu Microstructure Evolution in CuZnO/Al_{2}O_{3}(−Cs) Catalysts During Activation in H_{2} using in situ XRD and XRD-CT. Chemistry–Methods , Article e202200015. 10.1002/cmtd.202200015. (In press). Green open access
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Fernandes, Guilherme FS; Thompson, Andrew M; Castagnolo, Daniele; Denny, William A; Dos Santos, Jean L; (2022) Tuberculosis Drug Discovery: Challenges and New Horizons. Journal of Medicinal Chemistry , 65 (11) pp. 7489-7531. 10.1021/acs.jmedchem.2c00227. Green open access
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Fernando, Nathalie K; Boström, Hanna LB; Murray, Claire A; Owen, Robin L; Thompson, Amber L; Dickerson, Joshua L; Garman, Elspeth F; ... Regoutz, Anna; + view all (2022) Variability in X-ray induced effects in [Rh(COD)Cl]₂ with changing experimental parameters. Physical Chemistry Chemical Physics 10.1039/d2cp03928a. (In press). Green open access
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Fernando, Nathalie K; Stella, Martina; Dawson, William; Nakajima, Takahito; Genovese, Luigi; Regoutz, Anna; Ratcliff, Laura E; (2022) Probing disorder in 2CzPN using core and valence states. Physical Chemistry Chemical Physics 10.1039/d2cp02638d. Green open access
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Ferraz, BJ; Kong, J; Li, B; Neng Tham, N; Blackman, C; Liu, Z; (2022) Co/N nanoparticles supported on a C3N4/polydopamine framework as a bifunctional electrocatalyst for rechargeable zinc-air batteries. Journal of Electroanalytical Chemistry , 921 , Article 116702. 10.1016/j.jelechem.2022.116702. Green open access
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Foglia, F; Garcia Sakai, V; Lyonnard, S; McMillan, PF; (2022) Decoupling polymer, water and ion transport dynamics in ion-selective membranes for fuel cell applications. Journal of Non-Crystalline Solids: X , 13 , Article 100073. 10.1016/j.nocx.2021.100073. Green open access
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Foglia, Fabrizia; Berrod, Quentin; Clancy, Adam J; Smith, Keenan; Gebel, Gérard; Sakai, Victoria García; Appel, Markus; ... McMillan, Paul F; + view all (2022) Disentangling water, ion and polymer dynamics in an anion exchange membrane. Nature Materials , 21 pp. 555-563. 10.1038/s41563-022-01197-2. Green open access
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Foglia, Fabrizia; Frick, Bernhard; Nania, Manuela; Livingston, Andrew G; Cabral, João T; (2022) Multimodal confined water dynamics in reverse osmosis polyamide membranes. Nature Communications , 13 , Article 2809. 10.1038/s41467-022-30555-6. Green open access
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Fortune, William G; Scholz, Michael S; Fielding, Helen H; (2022) UV Photoelectron Spectroscopy of Aqueous Solutions. Accounts of Chemical Research 10.1021/acs.accounts.2c00523. (In press). Green open access
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Freychet, G; Chantler, P; Huang, Y; Tan, WL; Zhernenkov, M; Nayak, N; Kumar, A; ... McNeill, CR; + view all (2022) Resolving the backbone tilt of crystalline poly(3-hexylthiophene) with resonant tender X-ray diffraction. Materials Horizons , 9 (6) pp. 1649-1657. 10.1039/d2mh00244b. Green open access
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Freychet, G; Huang, Y; Tan, WL; Gilhooly-Finn, PA; Nielsen, CB; Sirringhaus, H; McNeill, CR; (2022) Drastic Enhancement of X-ray Scattering Contrast between Amorphous and Crystalline Phases of Poly(3-hexylthiophene) at the Sulfur K-Edge. ACS Materials Letters , 4 (5) pp. 764-769. 10.1021/acsmaterialslett.2c00049. Green open access
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Fukumoto, M; Hirose, Y; Williamson, BAD; Nakao, S; Kimura, K; Hayashi, K; Sugisawa, Y; ... Hasegawa, T; + view all (2022) Ligand Field-Induced Exotic Dopant for Infrared Transparent Electrode: W in Rutile SnO₂. Advanced Functional Materials , 32 (14) , Article 2110832. 10.1002/adfm.202110832. Green open access
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Ganose, Alex M; Scanlon, David O; Walsh, Aron; Hoye, Robert LZ; (2022) The defect challenge of wide-bandgap semiconductors for photovoltaics and beyond. Nature Communications , 13 , Article 4715. 10.1038/s41467-022-32131-4. Green open access
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Giussani, Angelo; Worth, Graham; (2022) On the photorelease of nitric oxide by nitrobenzene derivatives; a CASPT2//CASSCF model. The Journal of Chemical Physics , 157 (20) , Article 204301. 10.1063/5.0125460. Green open access
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Gouveia, VM; Rizzello, L; Vidal, B; Nunes, C; Poma, A; Lopez-Vasquez, C; Scarpa, E; ... Battaglia, G; + view all (2022) Targeting Macrophages and Synoviocytes Intracellular Milieu to Augment Anti-Inflammatory Drug Potency. Advanced Therapeutics 10.1002/adtp.202100167. (In press). Green open access
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Gray, DE; Munshi, T; Scowen, IJ; Brett, DJL; He, G; (2022) Seed-Mediated, Shape-Controlled Synthesis Methods for Platinum-Based Electrocatalysts for the Oxygen Reduction Reaction—A Mini Review. Frontiers in Chemistry , 10 , Article 865214. 10.3389/fchem.2022.865214. Green open access
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Green, James A; Gómez, Sandra; Worth, Graham; Santoro, Fabrizio; Improta, Roberto; (2022) Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform. Chemistry , Article e202201731. 10.1002/chem.202201731. (In press). Green open access
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Green, James A; Gomez, Sandra; Worth, Graham; Santoro, Fabrizio; Improta, Roberto; (2022) Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform. Chemistry - A European Journal , 28 (57) , Article e202203016. 10.1002/chem.202201731. Green open access
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Green, James D; Fuemmeler, Eric G; Hele, Timothy JH; (2022) Inverse molecular design from first principles: Tailoring organic chromophore spectra for optoelectronic applications. The Journal of Chemical Physics , 156 (18) , Article 180901. 10.1063/5.0082311. Green open access
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Grinter, David C; Thornton, Geoff; (2022) Structure and Reactivity of Model CeO2surfaces. Journal of Physics: Condensed Matter , 34 (25) , Article 253001. 10.1088/1361-648X/ac5d89. Green open access
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Gu, Junwen; Lin, Jiaqi; Smith, Andrew J; Soontaranon, Siriwat; Rugmai, Supagorn; Kongmark, Chanapa; Coppens, Marc-Olivier; (2022) Towards understanding mesopore formation in zeolite Y crystals using alkaline additives via in situ small-angle X-ray scattering. Microporous and Mesoporous Materials , 338 , Article 111867. 10.1016/j.micromeso.2022.111867. Green open access
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Guo, Junjun; Moss, Benjamin; Clarke, Tracey M; (2022) Quantifying triplet formation in conjugated polymer/non-fullerene acceptor blends. Journal of Materials Chemistry A 10.1039/d2ta05172a. (In press). Green open access
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Gupta, Ranjeetkumar; Gupta, Priya; Footer, Charles; Stenning, Gavin BG; Darr, Jawwad A; Pancholi, Ketan; (2022) Tuneable magnetic nanocomposites for remote self-healing. Scientific Reports , 12 (1) , Article 10180. 10.1038/s41598-022-14135-8. Green open access
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Habib, F; Tocher, DA; Carmalt, CJ; (2022) Applications of the crystalline sponge method and developments of alternative crystalline sponges. Materials Today: Proceedings , 56 (6) pp. 3766-3773. 10.1016/j.matpr.2022.01.018. Green open access
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Hailes, Helen; Carter, Eve; Ambrose-Dempster, Esther; Ward, John M; Sheppard, Tom; (2022) Mechanoenzymatic reactions with whole cell transaminases: shaken, not stirred. Green Chemistry 10.1039/d2gc01006b. (In press). Green open access
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Haldar, Sattwick; Wang, Mingchao; Bhauriyal, Preeti; Hazra, Arpan; Khan, Arafat H; Bon, Volodymyr; Isaacs, Mark A; ... Kaskel, Stefan; + view all (2022) Porous Dithiine-Linked Covalent Organic Framework as a Dynamic Platform for Covalent Polysulfide Anchoring in Lithium-Sulfur Battery Cathodes. Journal of the American Chemical Society , 144 (20) pp. 9101-9112. 10.1021/jacs.2c02346. Green open access
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Haldar, Susanta; Zhang, Yashu; Xia, Ying; Islam, Barira; Liu, Sisi; Gervasio, FL; Mulholland, AJ; ... Haider, S; + view all (2022) Mechanistic Insights into the Ligand-Induced Unfolding of an RNA G-Quadruplex. Journal of the American Chemical Society , 144 (2) pp. 935-950. 10.1021/jacs.1c11248. Green open access
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Han, Yupei; Vijaya Kumar Saroja, Ajay Piriya; Tinker, Henry R; Xu, Yang; (2022) Interphases in the electrodes of potassium ion batteries. Journal of Physics: Materials , 5 (2) , Article 022001. 10.1088/2515-7639/ac5dce. Green open access
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Zhao, Donglei; Sathasivam, Sanjayan; Wang, Mingyue; Carmalt, Claire J; (2022) Transparent and conducting boron doped ZnO thin films grown by aerosol assisted chemical vapor deposition. RSC Advances , 12 (51) pp. 33049-33055. 10.1039/d2ra05895b. Green open access
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Zhao, Fei; Lauder, Kate; Liu, Siyu; Finnigan, James D; Charnock, Simon BR; Charnock, Simon J; Castagnolo, Daniele; (2022) Chemoenzymatic Cascades for the Enantioselective Synthesis of β-Hydroxysulfides Bearing a Stereocentre at the C−O or C−S Bond by Ketoreductases. Angewandte Chemie International Edition , 61 (31) , Article e202202363. 10.1002/anie.202202363. Green open access
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Zhao, Fei; Lauder, Kate; Liu, Siyu; Finnigan, James D; Charnock, Simon BR; Charnock, Simon J; Castagnolo, Daniele; (2022) Chemoenzymatic Cascades for the Enantioselective Synthesis of β‐Hydroxysulfides Bearing a Stereocentre at the C−O or C−S Bond by Ketoreductases. Angewandte Chemie , 134 (31) , Article e202202363. 10.1002/ange.202202363.

Zhao, Pin-Yi; Gonzalez, Antonio Ruiz; Li, Bing; Liu, Yuhan; Palgrave, Robert; Choy, Kwang-Leong; (2022) Multicoated composites of nano silicon and graphene nanoplatelets as anodes in Li-ion batteries. Materials Advances 10.1039/d1ma01007g. (In press). Green open access
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Zhou, Yansheng; Li, Ying; Li, Daqing; Yin, Yidan; Zhou, Feng-Lei; (2022) Electrospun PHB/Chitosan Composite Fibrous Membrane and Its Degradation Behaviours in Different pH Conditions. Journal of Functional Biomaterials , 13 (2) , Article 58. 10.3390/jfb13020058. Green open access
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Zhou, Yongfeng; Parkes, Michael A; Zhang, Jinshuai; Wang, Yufei; Ruddlesden, Michael; Fielding, Helen H; Su, Lei; (2022) Single-crystal organometallic perovskite optical fibers. Science Advances , 8 (38) , Article eabq8629. 10.1126/sciadv.abq8629. Green open access
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Zhu, B; Scanlon, DO; (2022) Predicting lithium iron oxysulphides for battery cathodes. ACS Applied Energy Materials , 5 (1) pp. 575-584. 10.1021/acsaem.1c03094. Green open access
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Zong, W; Guo, H; Ouyang, Y; Mo, L; Zhou, C; Chao, G; Hofkens, J; ... Liu, T; + view all (2022) Topochemistry-Driven Synthesis of Transition-Metal Selenides with Weakened Van Der Waals Force to Enable 3D-Printed Na-Ion Hybrid Capacitors. Advanced Functional Materials , 32 (13) , Article 2110016. 10.1002/adfm.202110016. Green open access
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Zwijnenburg, Martijn A; (2022) The Effect of Particle Size and Composition on the Optical and Electronic Properties of CdO and CdS Rocksalt Nanoparticles. Physical Chemistry Chemical Physics , 36 (24) pp. 21954-21965. 10.1039/d2cp01342h. Green open access
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Book

Apblett, Allen; Barron, Andrew; Hepp, Aloysius F; (2022) Nanomaterials via Single-Source Precursors Synthesis, Processing and Applications. [Book]. (1st ed.). Elsevier

Book chapter

Aliev, AE; (2022) Solid state NMR spectroscopy. In: Hodgkinson, Paul and Sauri, Josep, (eds.) SPR - Nuclear Magnetic Resonance. (pp. 120-180). Royal Society of Chemistry

Amon, Alfred; Chikani, Bharvi; Halukeerthi, Siriney O; Ponan, Carissa; Rosu-Finsen, Alexander; Sharif, Zainab; Smith, Rachael L; ... Salzmann, Christoph G; + view all (2022) Nineteen Phases of Ice and Counting. In: Martelli, Fausto, (ed.) Properties of Water from Numerical and Experimental Perspectives. (pp. 80-103). CRC Press: Boca Raton, Florida, US.

Bhide, MA; Mears, KL; Carmalt, CJ; Knapp, CE; (2022) Precursor design and impact of structure on the fabrication of materials. In: Nanomaterials via Single-Source Precursors: Synthesis, Processing and Applications. (pp. 3-53). Elsevier

Proceedings paper

Bronik, K; Roa, WM; Vassaux, M; Edeling, W; Coveney, P; (2022) Automated Variance-Based Sensitivity Analysis of a Heterogeneous Atomistic-Continuum System. In: Groen, D and DeMulatier, C and Paszynski, M and Krzhizhanovskaya, VV and Dongarra, JJ and Sloot, PMA, (eds.) Proceedings of the 22nd International Conference: Computational Science – ICCS 2022. (pp. pp. 762-766). Springer Nature Green open access
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Ciriza, DB; Van Baalen, C; Isa, L; Onofrio, MM; Volpe, G; Jones, PH; (2022) Elongated active particles in speckle fields. In: Frontiers in Optics + Laser Science 2022 (FIO, LS). (pp. JW4A.22). Optica Publishing Group: Rochester, New York United States. Green open access
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Report

Horan, Anne; Ratcliff, Elizabeth; Southgate, Claire; Horan, Anne; Gibson, Nichole; Hilborne, Victoria; Black, Diedre; (2022) RSC Sustainable laboratories report: a community wide movement toward more sustainable laboratories. Royal Society of Chemistry: London, UK.

Working / discussion paper

Araújo, Nuno AM; Janssen, Liesbeth MC; Barois, Thomas; Boffetta, Guido; Cohen, Itai; Corbetta, Alessandro; Dauchot, Olivier; ... Volpe, Giorgio; + view all (2022) Steering self-organisation through confinement. ArXiv: Ithaca, NY, USA. Green open access
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Roon, Danne M van; Volpe, Giorgio; Gama, Margarida M Telo da; Araújo, Nuno AM; (2022) The role of disorder in the motion of chiral swimmers in the presence of obstacles. Cornell University (Cornell Tech): New York (NY), USA. Green open access
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Volpe, Giovanni; Maragò, Onofrio M; Rubinzstein-Dunlop, Halina; Pesce, Giuseppe; Stilgoe, Alexander B; Volpe, Giorgio; Tkachenko, Georgiy; ... Swartzlander, Grover A; + view all (2022) Roadmap for Optical Tweezers. arXiv Green open access
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Conference item

Hilborne, Victoria; Neugarten, Martha; Sella, Andrea; (2022) A Template for Sustainability Education in Chemistry. Presented at: Horizons in STEM Higher Education Conference 2022, London, UK. Green open access
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Sirindil, Fatih; Arstad, Erik; Sander, Kerstin; Awais, Ramla; Twyman, Frazer; Marcolan, Camila; Glaser, Matthias; (2022) P-161 - Automated production of [(18)^F]AldoView: first translation of a sulfonium salt precursor to GMP. Presented at: International Symposium on Radiopharmaceutical Sciences iSRS 2022, Nantes, France. Green open access
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Thesis

Almadhi, Safa Ali; (2022) The study of vesicle phoresis in a concentration gradient. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Argurio, Riccardo; (2022) Nanostructured materials for energy storage: applications in oxygen electrocatalysis and zinc-air batteries. Doctoral thesis (Ph.D), UCL (University College London).

Ash, Ceridwen; (2022) Developing methods for incorporating thermalisation effects into MCTDH. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Austin, Simon N.; (2022) Computer modelling of hydrogenation reactions in the organic solid state. Doctoral thesis (Eng.D), UCL (University College London). Green open access
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Bhartiya, Archana; (2022) Radiation effects on the structure of chromosomes. Doctoral thesis (Eng.D), UCL (University College London). Green open access
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Bhide, Malavika A.; (2022) Synthesis, Structural Studies and Aerosol-Assisted Chemical Vapour Deposition of Precursors towards Zinc Chalcogenides. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Campbell, Emma Jane; (2022) Hydrocarbon Pool Mechanisms in zeolite catalysts studied by Kerr-gated Raman Spectroscopy. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Carter, Eve; (2022) Novel reactions using transaminases and strategies for upgrading lignin to higher value synthons. Doctoral thesis (Ph.D), UCL (University College London).

Chrzastek, Alina Anna; (2022) Dual reactivity disulfide bridging reagents for antibody bioconjugation. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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De Pace, Cesare; (2022) Liquid Phase Electron Microscopy of Soft Specimens. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Evans, Rhys; (2022) Developing and applying novel Enhanced Sampling simulation techniques for Drug Discovery, Design, and Delivery. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Habib, Faiza; (2022) Metal-Organic Frameworks for the Structure Determination of Non-Crystalline Compounds via the Crystalline Sponge Method. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Ibrahim, Mohamed Raif; (2022) Synthesis of Nitrogen Heterocycles by Hypervalent Iodine Mediated Cyclization. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Jiao, Yiding; (2022) Electrode regulation for high-performance and sustainable aqueous zinc-ion batteries. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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King, Aaron Michael; (2022) Design of 0D and 1D Magnetic Nanostructures as Magnetic Resonance Imaging Contrast Agents. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Kucharski, Stefan Jozef; (2022) Identifying origin of response in SnO2-based gas sensors via in operando NAP XPS with simultaneous resistance measurements. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Lambert, Hugues; (2022) Building with cucurbit[n]urils: a computational study of host-guest chemistry and inner-phase reactions. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Lin, Runjia; (2022) Design of metal-carbon hybrids for electrosynthesis. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Malde, Roshni; (2022) Development and photophysical investigations of maleimide chromophores for applications in photoactive bioconjugates. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Nyandoro, Kudakwashe; (2022) Semi-synthesis of glycoproteins by auxiliary-mediated native chemical ligation. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Pan, Zhiyong; (2022) Cathode materials for high performance lithium-sulfur batteries. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Patel, Mehzabin; (2022) Liquid Crystal Microdroplets from Complex Binary Liquid Mixtures. Doctoral thesis (Eng.D), UCL (University College London). Green open access
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Philpott, Helena Kate; (2022) Bionanotechnology platforms for biocatalysis. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Pumpianskii, Mikhail; (2022) Rational design and synthesis of novel amino-luciferin analogues. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Qiu, Chengwu; (2022) Revealing metal-support interactions at the nanoscale in Co/TiO2 catalysts by spatially resolved microscopy/spectroscopy. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Rubinstein, Ethan A.; (2022) Computational discovery of electronic materials with structural prediction. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Shakespeare, Yiana Scott; (2022) Transition metal oxide composite nanomaterials as anodes in Lithium-ion energy storage devices. Doctoral thesis (Eng.D), UCL (University College London). Green open access
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Shin, Juhun; (2022) Metal-free carbon-based oxygen bi-functional electrocatalysts for rechargeable metal-air battery applications. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Stojanovski, Gorjan; (2022) The development of chemoenzymatic methods toward novel aminoglycosides and a heterologous expression system for butirosin. Doctoral thesis (Ph.D), UCL (University College London).

Strachan, James; (2022) Studies toward the total synthesis of tagetitoxin. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Szijj, Peter; (2022) Investigation of chemically constructed bispecific antibodies and their conjugates for the treatment of type 1 diabetes and cancer. Doctoral thesis (Ph.D), University College London (UCL).

Szpara, Rachel; (2022) The Selective Dehydration of Sugars in the Sustainable Synthesis of Chiral Fragments and Fluoroalkane Generation from Prochiral Substrates. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Tran, Thierry; (2022) Investigation of charge migration/transfer in radical cations using Ehrenfest method with fully quantum nuclear motion. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Trivedi, Manish; (2022) Emergence Arising from the Interplay between Active and Passive Particles. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Wilson, Isobel; (2022) Electrochemical Reduction of Trifluoroacetylpyridinium Salts for the Oxytrifluoromethylation of Styrenes. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Xiong, Siyu; (2022) Development of Absorbents Based on Polymeric Nanocomposites for Uraemic Toxin Sorption. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Xu, Yijie; (2022) Continuous Hydrothermal Flow Synthesized Transition Metal Oxides and Chalcogenides for Secondary Energy Storage Systems. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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Yao, Yuting; (2022) Development of self-supported transition-metal-based electrocatalyst via aerosol-assisted chemical vapour deposition towards efficient and stable bifunctional water electrolysis. Doctoral thesis (Ph.D), UCL (University College London).

Zhao, Pinyi; (2022) Aerosol multicoated composites as negative electrodes in lithium-ion batteries. Doctoral thesis (Ph.D), UCL (University College London).

Zhu, Lei; (2022) Computational studies of point defects in aluminium nitride. Doctoral thesis (Ph.D), UCL (University College London). Green open access
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This list was generated on Mon Feb 26 00:34:46 2024 GMT.