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Number of items: 432.
A
Abdulgalil, AGM;
Rosu-Finsen, A;
Marchione, D;
Thrower, JD;
Collings, MP;
McCoustra, MRS;
(2017)
Electron-Promoted Desorption from Water Ice Surfaces: Neutral Gas Phase Products.
ACS Earth and Space Chemistry
, 1
(4)
pp. 209-215.
10.1021/acsearthspacechem.7b00028.
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Abraham, MH;
Acree, WE;
(2017)
Descriptors for Pentane-2,4-dione and Its Derivatives.
Journal of Solution Chemistry
, 46
(8)
pp. 1625-1638.
10.1007/s10953-017-0667-y.
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Abraham, MH;
Acree, WE;
Fucaloro, AF;
Zanella, AW;
(2017)
Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III).
New Journal of Chemistry
, 41
(23)
pp. 14259-14265.
10.1039/c7nj02102j.
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Adedigba, A-L;
Sankar, G;
Catlow, CRA;
Du, Y;
Xi, S;
Borgna, A;
(2017)
On the synthesis and performance of hierarchical nanoporous TS-1 catalysts.
Microporous and Mesoporous Materials
, 244
pp. 83-92.
10.1016/j.micromeso.2017.02.048.
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Aina, AA;
Misquitta, AJ;
Price, SL;
(2017)
From dimers to the solid-state: Distributed intermolecular force-fields for pyridine.
The Journal of Chemical Physics
, 147
(16)
p. 161722.
10.1063/1.4999789.
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Alowayyed, S;
Groen, D;
Coveney, PV;
Hoekstra, AG;
(2017)
Multiscale computing in the exascale era.
Journal of Computational Science
, 22
pp. 15-25.
10.1016/j.jocs.2017.07.004.
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Altwaijry, NA;
Baron, M;
Wright, DW;
Coveney, PV;
Townsend-Nicholson, A;
(2017)
An Ensemble-Based Protocol for the Computational Prediction of Helix-Helix Interactions in G Protein-Coupled Receptors using Coarse-Grained Molecular Dynamics.
Journal of Chemical Theory and Computation
, 13
(5)
pp. 2254-2270.
10.1021/acs.jctc.6b01246.
(In press).
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Ambroz, F;
Macdonald, TJ;
Nann, T;
(2017)
Trends in Aluminium-Based Intercalation Batteries.
[Review].
Advanced Energy Materials
, 7
(15)
, Article 1602093. 10.1002/aenm.201602093.
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Anderson, JC;
Campbell, IB;
Campos, S;
Rundell, CD;
Shannon, J;
Tizzard, GJ;
(2017)
Base-Controlled Diastereoselective Synthesis of Either anti- or syn-β-Aminonitriles.
Organic Letters
, 19
(7)
pp. 1918-1921.
10.1021/acs.orglett.7b00679.
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Anderson, JC;
Grounds, H;
Jathoul, AP;
Murray, JAH;
Pacman, SJ;
Tisi, L;
(2017)
A Convergent Synthesis and Optical Properties of Near-infrared Emitting Bioluminescent Infra-luciferins.
RSC Advances
, 7
pp. 3975-3982.
10.1039/c6ra19541e.
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Ansari, Zarrin;
(2017)
Understanding the Chemistry of Small Pore SAPO Materials for Emissions Control Applications.
Doctoral thesis (Ph.D), UCL (University College London).
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Anthony, DB;
Qian, H;
Clancy, AJ;
Greenhalgh, ES;
Bismarck, A;
Shaffer, MSP;
(2017)
Applying a potential difference to minimise damage to carbon fibres during carbon nanotube grafting by chemical vapour deposition.
Nanotechnology
, 28
, Article 305602. 10.1088/1361-6528/aa783f.
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Arca, E;
Kehoe, AB;
Veal, TD;
Shmeliov, A;
Scanlon, DO;
Downing, C;
Daly, D;
... Watson, GW; + view all
(2017)
Valence band modification of Cr2O3 by Ni-doping: creating a high figure of merit p-type TCO.
Journal of Materials Chemistry C
, 5
(47)
pp. 12610-12618.
10.1039/c7tc03545d.
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Armer, CF;
Luebke, M;
Reddy, MV;
Darr, JA;
Li, X;
Lowe, A;
(2017)
Phase change effect on the structural and electrochemical behaviour of pure and doped vanadium pentoxide as positive electrodes for lithium ion batteries.
Journal of Power Sources
, 353
pp. 40-50.
10.1016/j.jpowsour.2017.03.121.
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B
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Baber, MR;
(2017)
Synthesis of inorganic nanoparticles using microfluidic devices.
Doctoral thesis , UCL (University College London).
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Bajaj, H;
Acosta Gutierrez, S;
Bodrenko, I;
Malloci, G;
Scorciapino, MA;
Winterhalter, M;
Ceccarelli, M;
(2017)
Bacterial Outer Membrane Porins as Electrostatic Nanosieves: Exploring Transport Rules of Small Polar Molecules.
ACS Nano
, 11
(6)
pp. 5465-5473.
10.1021/acsnano.6b08613.
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Balça-Silva, J;
Matias, D;
Do Carmo, AL;
Dubois, L;
Gonçalves, A;
Girão, H;
Canedo, NH;
... Moura-Neto, V; + view all
(2017)
Glioblastoma entities express subtle differences in molecular composition and response to treatment.
Oncology Reports
, 38
pp. 1341-1352.
10.3892/or.2017.5799.
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Balça-Silva, J;
Matias, D;
Dubois, LG;
Carneiro, B;
do Carmo, A;
Girão, H;
Ferreira, F;
... Moura-Neto, V; + view all
(2017)
The Expression of Connexins and SOX2 Reflects the Plasticity of Glioma Stem-Like Cells.
Translational Oncology
, 10
(4)
pp. 555-569.
10.1016/j.tranon.2017.04.005.
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Bass, KK;
Estergreen, L;
Savory, CN;
Buckeridge, J;
Scanlon, DO;
Djurovich, PI;
Bradforth, SE;
... Melot, BC; + view all
(2017)
Vibronic Structure in Room Temperature Photoluminescence of the Halide Perovskite Cs3Bi2Br9.
Inorganic Chemistry
, 56
(1)
pp. 42-45.
10.1021/acs.inorgchem.6b01571.
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Batmunkh, M;
Macdonald, T;
Peveler, W;
Bati, A;
Claire J Carmalt, CJC;
Parkin, I;
Shapter, JG;
(2017)
Plasmonic Gold Nanostars Incorporated into High-Efficiency Perovskite Solar Cells.
ChemSusChem
, 10
(19)
pp. 3750-3753.
10.1002/cssc.201701056.
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Baud, D;
Jeffries, JWE;
Moody, TS;
Ward, JM;
Hailes, HC;
(2017)
A metagenomics approach for new biocatalyst discovery: application to transaminases and the synthesis of allylic amines.
Green Chemistry
, 19
(4)
pp. 1134-1143.
10.1039/c6gc02769e.
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Bauer, D;
Roberts, AJ;
Matsumi, N;
Darr, JA;
(2017)
Nano-sized Mo- and Nb-doped TiO2 as anode materials for high energy and high power hybrid Li-ion capacitors.
Nanotechnology
, 28
(19)
10.1088/1361-6528/aa69df.
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Beale, AM;
Jacques, SDM;
Di Michiel, M;
Mosselmans, JFW;
Price, SWT;
Senecal, P;
Vamvakeros, A;
(2017)
X-ray physico-chemical imaging during activation of cobalt-based Fischer-Tropsch synthesis catalysts.
Philosophical Transactions of the Royal Society a-mathematical Physical and Engineering Sciences
, 376
(2110)
10.1098/rsta.2017.0057.
(In press).
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Beekmeyer, R;
Parkes, MA;
Ridgwell, L;
Riley, J;
Chen, J;
Feringa, BL;
Kerridge, A;
(2017)
Unravelling the electronic structure and dynamics of an isolated molecular rotary motor in the gas-phase.
Chemical Science
, 8
(9)
pp. 6141-6148.
10.1039/C7SC01997A.
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Ben-Jaber, S;
Peveler, WJ;
Quesada-Cabrera, R;
Sol, CWO;
Papakonstantinou, I;
Parkin, IP;
(2017)
Sensitive and specific detection of explosives in solution and vapour by surface-enhanced Raman spectroscopy on silver nanocubes.
Nanoscale
, 9
(42)
pp. 16459-16466.
10.1039/c7nr05057g.
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Bennett, JA;
Parlett, CMA;
Isaacs, MA;
Durndell, LJ;
Olivi, L;
Lee, AF;
Wilson, K;
(2017)
Acetic Acid Ketonization over Fe3O4/SiO2 for Pyrolysis Bio-Oil Upgrading.
ChemCatChem
, 9
(9)
pp. 1648-1654.
10.1002/cctc.201601269.
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Berardo, E;
Kaplan, F;
Bhaskaran-Nair, K;
Shelton, WA;
van Setten, MJ;
Kowalski, K;
Zwijnenburg, MA;
(2017)
Benchmarking the Fundamental Electronic Properties of small TiO 2 Nanoclusters by GW and Coupled Cluster Theory Calculations.
Journal of Chemical Theory and Computation
, 13
(8)
pp. 3814-3828.
10.1021/acs.jctc.7b00538.
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Bhachu, DS;
Harris, TGAA;
Egdell, RG;
Sankar, G;
Carmalt, CJ;
Parkin, IP;
(2017)
Electronic properties of antimony-doped anatase TiO2 thin films prepared by aerosol assisted chemical vapour deposition.
Journal Of Materials Chemistry C
, 5
(37)
pp. 9694-9701.
10.1039/c6tc04462j.
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Bhati, AP;
Wan, S;
Wright, DW;
Coveney, PV;
(2017)
Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration.
Journal of Chemical Theory and Computation
, 13
(1)
pp. 210-222.
10.1021/acs.jctc.6b00979.
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Birkett, M;
Savory, CN;
Fioretti, AN;
Thompson, P;
Muryn, CA;
Weerakkody, AD;
Mitrovic, IZ;
... Veal, TD; + view all
(2017)
Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu3N.
Physical Review B
, 95
, Article 115201. 10.1103/PhysRevB.95.115201.
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Biswas, D;
Ganose, AM;
Yano, R;
Riley, JM;
Bawden, L;
Clark, OJ;
Feng, J;
... King, PDC; + view all
(2017)
Narrow-band anisotropic electronic structure of ReS2.
Physical Review B
, 96
(8)
, Article 085205. 10.1103/PhysRevB.96.085205.
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Blackburn, B;
(2017)
Study of Gas-Phase Reactions in TiO₂ Production and Functionalised Thin Films.
Doctoral thesis , UCL (University College London).
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Boateng, IW;
Tia, R;
Adei, E;
Dzade, NY;
Catlow, CRA;
De Leeuw, NH;
(2017)
A DFT plus U investigation of hydrogen adsorption on the LaFeO3(010) surface.
Physical Chemistry Chemical Physics
, 19
(10)
pp. 7399-7409.
10.1039/C6CP08698E.
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Bochenkova, AV;
Mooney, CRS;
Parkes, MA;
Woodhouse, JL;
Zhang, L;
Lewin, R;
Ward, JM;
... Fielding, HH; + view all
(2017)
Mechanism of resonant electron emission from the deprotonated GFP chromophore and its biomimetics.
Chemical Science
, 8
(4)
pp. 3154-3163.
10.1039/C6SC05529J.
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Bodrenko, IV;
Acosta-Gutierrez, S;
D'Agostino, T;
Salis, S;
Samanta, S;
Scorciapino, MA;
Ceccarelli, M;
(2017)
Towards In-Silica Screening of Molecule Permeation through Outer Membrane Channels in Gramm-Negative Bacteria.
Presented at: 58th Annual Meeting of the Biophysical-Society, San Francisco, CA.
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Boutry, CM;
Schroeder, BC;
Bao, Z;
Legrand, A;
Fox, P;
(2017)
A sensor measuring deformation and pressure, entirely biodegradable, for orthopedic applications.
In:
Proceedings of the 2016 IEEE Biomedical Circuits and Systems Conference (BioCAS).
(pp. pp. 144-147).
IEEE: Shanghai, China.
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Brandenburg, JG;
Potticary, J;
Sparkes, HA;
Price, SL;
Hall, SR;
(2017)
Thermal Expansion of Carbamazepine: Systematic Crystallographic Measurements Challenge Quantum Chemical Calculations.
Journal of Physical Chemistry Letters
, 8
(17)
pp. 4319-4324.
10.1021/acs.jpclett.7b01944.
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Braun, DE;
Lingireddy, SR;
Beidelschies, MD;
Guo, R;
Müller, P;
Price, SL;
Reutzel-Edens, SM;
(2017)
Unraveling Complexity in the Solid Form Screening of a Pharmaceutical Salt: Why so Many Forms? Why so Few?
Crystal Growth & Design
10.1021/acs.cgd.7b00842.
(In press).
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Breeson, AC;
Sankar, G;
Goh, GKL;
Palgrave, RG;
(2017)
Phase quantification by X-ray photoemission valence band analysis applied to mixed phase TiO2 powders.
Applied Surface Science
, 423
pp. 205-209.
10.1016/j.apsusc.2017.06.161.
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Breeson, Andrew;
(2017)
Control of Crystallinity in Photocatalytic Titanium Dioxide.
Doctoral thesis (Ph.D), UCL (University College London).
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Briggs, R;
Daisenberger, D;
Lord, OT;
Salamat, A;
Bailey, E;
Walter, MJ;
McMillan, PF;
(2017)
High-pressure melting behavior of tin up to 105 GPa.
Physical Review B
, 95
(5)
, Article 054102. 10.1103/PhysRevB.95.054102.
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Brown, OC;
Baguña Torres, J;
Holt, KB;
Blower, PJ;
Went, MJ;
(2017)
Copper complexes with dissymmetrically substituted bis(thiosemicarbazone) ligands as a basis for PET radiopharmaceuticals: control of redox potential and lipophilicity.
Dalton Transactions
, 46
pp. 14612-14630.
10.1039/c7dt02008b.
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Bučar, D-K;
(2017)
Engineering Molecular Crystals: Backbreaking, yet Gratifying.
Crystal Growth & Design
, 17
(6)
pp. 2913-2918.
10.1021/acs.cgd.7b00210.
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Buchholz, HK;
Hylton, RK;
Brandenburg, JG;
Seidel-Morgenstern, A;
Lorenz, H;
Stein, M;
Price, SL;
(2017)
Correction to Thermochemistry of Racemic and Enantiopure Organic Crystals for Predicting Enantiomer Separation.
Crystal Growth & Design
, 17
(11)
p. 6149.
10.1021/acs.cgd.7b01381.
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Buchholz, HK;
Hylton, RK;
Brandenburg, JG;
Seidel-Morgenstern, A;
Lorenz, H;
Stein, M;
Price, SL;
(2017)
Thermochemistry of Racemic and Enantiopure Organic Crystals for Predicting Enantiomer Separation.
Crystal Growth & Design
, 17
(9)
pp. 4676-4686.
10.1021/acs.cgd.7b00582.
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C
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Cao, E;
Brett, G;
Miedziak, PJ;
Douthwaite, JM;
Barrass, S;
McMillan, PF;
Hutchings, GJ;
(2017)
A micropacked-bed multi-reactor system with in situ raman analysis for catalyst evaluation.
Catalysis Today
, 283
pp. 195-201.
10.1016/j.cattod.2016.06.007.
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Cárdenas-Fernández, M;
Bawn, M;
Hamley-Bennett, C;
Bharat, PKV;
Subrizi, F;
Suhaili, N;
Ward, DP;
... Lye, GJ; + view all
(2017)
An integrated biorefinery concept for conversion of sugar beet pulp into value-added chemicals and pharmaceutical intermediates.
Faraday Discuss
, 202
pp. 415-431.
10.1039/c7fd00094d.
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Castillo-Pazos, DJ;
Macmillan, D;
(2017)
Investigation of Cysteine as an Activator of Side-Chain N -> S Acyl Transfer and Tail-to-Side-Chain Cyclization.
Synlett
, 28
(15)
pp. 1923-1928.
10.1055/s-0036-1590797.
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Catlow, CRA;
(2017)
Developments in the structural science of materials.
IUCrJ
, 4
(3)
pp. 199-201.
10.1107/S2052252517006145.
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Catlow, CRA;
Buckeridge, J;
Farrow, MR;
Logsdail, A;
Sokol, AA;
(2017)
Quantum mechanical/molecular mechanical (QM/MM) approaches.
In: Dronskowski, R and Shinichi, K and Stein, A, (eds.)
Handbook of Solid State Chemistry.
(pp. 647-680).
Wiley: Weinheim, Germany.
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Catlow, R;
(2017)
Peer reviewers need more nurturing.
Nature
, 552
(7685)
p. 293.
10.1038/d41586-017-08289-z.
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Chadwick, NP;
Kafizas, A;
Quesada-Cabrera, R;
Sotelo-Vazquez, C;
Bawaked, SM;
Mokhtar, M;
Al Thabaiti, SA;
... Parkin, IP; + view all
(2017)
Ultraviolet Radiation Induced Dopant Loss in a TiO2 Photocatalyst.
ACS Catalysis
, 7
(2)
pp. 1485-1490.
10.1021/acscatal.6b03170.
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Chadwick, NP;
Sathasivam, S;
Sotelo-Vazquez, C;
Bawaked, SM;
Mokhtar, M;
Basahel, SN;
Obaid, AY;
... Parkin, IP; + view all
(2017)
Dopant stability in multifunctional doped TiO 2's under environmental UVA exposure.
Environmental Science: Nano
, 2017
(5)
pp. 1108-1113.
10.1039/C7EN00061H.
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Chai, G-L;
Qiu, K;
Qiao, M;
Titirici, M-M;
Shang, C;
Guo, Z;
(2017)
Active sites engineering leads to exceptional ORR and OER bifunctionality in P,N Co-doped graphene frameworks.
Energy & Environmental Science
, 10
(5)
pp. 1186-1195.
10.1039/c6ee03446b.
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Chai, G-L;
Shevlin, SA;
Guo, Z;
(2017)
Nitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer.
Scientific Reports
, 7
(1)
, Article 5213. 10.1038/s41598-017-05570-z.
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Chen, F;
Lu, Y;
He, G;
Tiwari, M;
Carmalt, C;
Parkin, I;
(2017)
Table Salt as a Template to Prepare Reusable Porous PVDF-MWCNT Foam for Separation of Immiscible Oils/Organic Solvents and Corrosive Aqueous Solutions.
Advanced Functional Materials
, 27
(41)
, Article 1702926. 10.1002/adfm.201702926.
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Chen, J;
Schusteritsch, G;
Pickard, CJ;
Salzmann, CG;
Michaelides, A;
(2017)
Double-layer ice from first principles.
Physical Review B
, 95
(9)
, Article 094121. 10.1103/PhysRevB.95.094121.
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Chen, W;
Bakewell, C;
Crimmin, M;
(2017)
Functionalisation of Carbon–Fluorine Bonds with Main Group Reagents.
Synthesis
, 49
(04)
pp. 810-821.
10.1055/s-0036-1588663.
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Chen, Y-J;
Munoz Caro, GM;
Aparicio, S;
Jimenez-Escobar, A;
Lasne, J;
Rosu-Finsen, A;
McCoustra, MRS;
... Field, D; + view all
(2017)
Wannier-Mott Excitons in Nanoscale Molecular Ices.
Physical Review Letters
, 119
(15)
, Article 157703. 10.1103/PhysRevLett.119.157703.
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Chierico, L;
Rizzello, L;
Guan, L;
Joseph, AS;
Lewis, A;
Battaglia, G;
(2017)
The role of the two splice variants and extranuclear pathway on Ki-67 regulation in non-cancer and cancer cells.
PLoS One
, 12
(2)
, Article e0171815. 10.1371/journal.pone.0171815.
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Choi, Y-S;
Park, J-H;
Ahn, J-P;
Lee, J-C;
(2017)
Interfacial Reactions in the Li/Si diffusion couples: Origin of Anisotropic Lithiation of Crystalline Si in Li–Si batteries.
Scientific Reports
, 7
(1)
10.1038/s41598-017-14374-0.
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Chowdhury, MAH;
Haque, MR;
Ghosh, S;
Mobin, SM;
Tocher, DA;
Hogarth, G;
Richmond, MG;
... Roesky, HW; + view all
(2017)
Reversible C-H bond activation at a triosmium centre: A comparative study of the reactivity of unsaturated triosmium clusters Os3(CO)8(μ-dppm)(μ-H)2 and Os3(CO)8(μ-dppf)(μ-H)2 with activated alkynes.
Journal of Organometallic Chemistry
, 836-83
pp. 68-80.
10.1016/j.jorganchem.2017.02.041.
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Christensen, PA;
Attidekou, PS;
Egdell, RG;
Maneelok, S;
Manning, DAC;
Palgrave, R;
(2017)
Identification of the Mechanism of Electrocatalytic Ozone Generation on Ni/Sb-SnO2.
The Journal of Physical Chemistry C
, 121
(2)
pp. 1188-1199.
10.1021/acs.jpcc.6b10521.
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Chudasama, V;
Bryden, F;
Savoie, H;
Maruani, A;
Cheng, M;
Beeby, A;
Rodrigues, J;
(2017)
Assembly of high-potency photosensitiser-antibody conjugates through application of dendron multiplier technology.
Bioconjugate Chemistry
, 29
(1)
pp. 176-181.
10.1021/acs.bioconjchem.7b00678.
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Chutia, A;
Gibson, EK;
Farrow, MR;
Wells, PP;
Scanlon, DO;
Dimitratos, N;
Willock, DJ;
(2017)
The adsorption of Cu on the CeO2(110) surface.
Physical Chemistry Chemical Physics
, 19
(40)
pp. 27191-27203.
10.1039/c7cp04144f.
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Clancy, AJ;
Anthony, DB;
Fisher, SJ;
Leese, HS;
Roberts, CS;
Shaffer, MSP;
(2017)
Reductive dissolution of supergrowth carbon nanotubes for tougher nanocomposites by reactive coagulation spinning.
Nanoscale
, 9
(25)
pp. 8764-8773.
10.1039/c7nr00734e.
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Clancy, AJ;
Serginson, JM;
Greenfield, JL;
Shaffer, MSP;
(2017)
Systematic comparison of single-walled carbon nanotube/poly(vinyl acetate) graft-to reactions.
Polymer
, 133
pp. 263-271.
10.1016/j.polymer.2017.10.047.
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Clark, AH;
Marchbank, HR;
Hyde, TI;
Playford, HY;
Tucker, MG;
Sankar, G;
(2017)
Reverse Monte Carlo studies of CeO2 using neutron and synchrotron radiation techniques.
Physica Scripta
, 92
(3)
, Article 034002. 10.1088/1402-4896/aa547f.
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Cliffe, MJ;
Castillo-Martinez, E;
Wu, Y;
Lee, J;
Forse, AC;
Firth, FCN;
Moghadam, PZ;
... Grey, CP; + view all
(2017)
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