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  • Currently displaying 41 - 60 of 20238 publications
Tunneling splittings from path-integral molecular dynamics using a Langevin thermostat
CL Vaillant, DJ Wales, SC Althorpe
– The Journal of chemical physics
(2018)
148,
234102
(DOI: 10.1063/1.5029258)
Engineering chemistry for the future of organic synthesis Preface
SV Ley
– Tetrahedron
(2018)
74,
3085
(DOI: 10.1016/j.tet.2018.05.046)
Professor Steven V Ley CBE FRS FMedSci
SV Ley
– TETRAHEDRON
(2018)
74,
3086
(DOI: 10.1016/j.tet.2018.05.047)
Single-Molecule Characterization of the Interactions between Extracellular Chaperones and Toxic α-Synuclein Oligomers
DR Whiten, D Cox, MH Horrocks, CG Taylor, S De, P Flagmeier, L Tosatto, JR Kumita, H Ecroyd, CM Dobson, D Klenerman, MR Wilson
– Cell Rep
(2018)
23,
3492
(DOI: 10.1016/j.celrep.2018.05.074)
Mixed X-site formate-hypophosphite hybrid perovskites
Y Wu, DM Halat, F Wei, T Binford, ID Seymour, MW Gaultois, S Shaker, J Wang, CP Grey, AK Cheetham
– Chemistry
(2018)
(DOI: 10.1002/chem.201803061)
Developments in toxicogenomics: understanding and predicting compound-induced toxicity from gene expression data.
B Alexander-Dann, LL Pruteanu, E Oerton, N Sharma, I Berindan-Neagoe, D Módos, A Bender
– Molecular Omics
(2018)
(DOI: 10.1039/c8mo00042e)
Author Correction: N-Alkylation of functionalized amines with alcohols using a copper–gold mixed photocatalytic system
L-M Wang, Y Morioka, K Jenkinson, AEH Wheatley, S Saito, H Naka
– Scientific reports
(2018)
8,
9557
(DOI: 10.1038/s41598-018-27270-y)
Study of defect chemistry in the system La<inf>2- x</inf>Sr<inf>x</inf>NiO<inf>4+ δ</inf>by<sup>17</sup>O solid-state NMR spectroscopy and Ni K-edge XANES
DM Halat, MT Dunstan, MW Gaultois, S Britto, CP Grey
– Chemistry of Materials
(2018)
(DOI: 10.1021/acs.chemmater.8b00747)
Estimates of ozone return dates from Chemistry-Climate Model Initiative simulations
SS Dhomse, D Kinnison, MP Chipperfield, RJ Salawitch, I Cionni, MI Hegglin, NL Abraham, H Akiyoshi, AT Archibald, EM Bednarz, S Bekki, P Braesicke, N Butchart, M Dameris, M Deushi, S Frith, SC Hardiman, B Hassler, LW Horowitz, RM Hu, P Jöckel, B Josse, O Kirner, S Kremser, U Langematz, J Lewis, M Marchand, M Lin, E Mancini, V Marécal, M Michou, O Morgenstern, FM O'Connor, L Oman, G Pitari, DA Plummer, JA Pyle, LE Revell, E Rozanov, R Schofield, A Stenke, K Stone, K Sudo, S Tilmes, D Visioni, Y Yamashita, G Zeng
– Atmospheric Chemistry and Physics
(2018)
18,
8409
(DOI: 10.5194/acp-18-8409-2018)
Potential impacts of emissions associated with unconventional hydrocarbon extraction on UK air quality and human health
AT Archibald, C Ordóñez, E Brent, ML Williams
– Air Quality, Atmosphere & Health
(2018)
1
(DOI: 10.1007/s11869-018-0570-8)
Special Issue on Liquid Matter 2017.
D Frenkel
– Journal of Physics: Condensed Matter
(2018)
30,
290301
(DOI: 10.1088/1361-648x/aacbe0)
On the role of sidechain size and charge in the aggregation of A
X Yang, G Meisl, B Frohm, E Thulin, TPJ Knowles, S Linse
– Proceedings of the National Academy of Sciences of the United States of America
(2018)
115,
E5849
(DOI: 10.1073/pnas.1803539115)
Optical fibre-tip probes for SERS: numerical study for design considerations
T Hutter, SR Elliott, S Mahajan
– Optics Express
(2018)
26,
15539
(DOI: 10.1364/OE.26.015539)
Solar Water Splitting with a Hydrogenase Integrated in Photoelectrochemical Tandem Cells.
DH Nam, J Zhang, V Andrei, N Kornienko, N Heidary, A Wagner, K Nakanishi, K Sokol, B Slater, I Zebger, S Hofmann, J Fontecilla-Camps, CB Park, E Reisner
– Angew Chem Int Ed Engl
(2018)
(DOI: 10.1002/anie.201805027)
Direct observation and rational design of nucleation behavior in addressable self-assembly
M Sajfutdinow, WM Jacobs, A Reinhardt, C Schneider, DM Smith
– Proceedings of the National Academy of Sciences of the United States of America
(2018)
115,
E5877
(DOI: 10.1073/pnas.1806010115)
Extending in Silico Protein Target Prediction Models to Include Functional Effects.
LH Mervin, AM Afzal, L Brive, O Engkvist, A Bender
– Front Pharmacol
(2018)
9,
613
(DOI: 10.3389/fphar.2018.00613)
Energy Landscapes of Mini-Dumbbell DNA Octanucleotides
JS Klimavicz, K Röder, DJ Wales
– Journal of Chemical Theory and Computation
(2018)
(DOI: 10.1021/acs.jctc.8b00262)
Towards an atomistic understanding of disordered carbon electrode materials
VL Deringer, C Merlet, Y Hu, TH Lee, JA Kattirtzi, O Pecher, G Csányi, SR Elliott, CP Grey
– Chemical communications (Cambridge, England)
(2018)
54,
5988
(DOI: 10.1039/C8CC01388H)
Defining Hsp33's Redox-regulated Chaperone Activity and Mapping Conformational Changes on Hsp33 Using Hydrogen-deuterium Exchange Mass Spectrometry.
R Fassler, N Edinger, O Rimon, D Reichmann
– Journal of visualized experiments : JoVE
(2018)
(DOI: 10.3791/57806)
Realistic Atomistic Structure of Amorphous Silicon from Machine-Learning-Driven Molecular Dynamics
VL Deringer, N Bernstein, AP Bartók, MJ Cliffe, RN Kerber, LE Marbella, CP Grey, SR Elliott, G Csányi
– Journal of Physical Chemistry Letters
(2018)
9,
2879
(DOI: 10.1021/acs.jpclett.8b00902)

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