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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
Engineering chemistry for the future of organic synthesis Preface
SV Ley
– Tetrahedron
(2018)
74,
3085
Professor Steven V Ley CBE FRS FMedSci
SV Ley
– TETRAHEDRON
(2018)
74,
3086
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
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)
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)
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
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)
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
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
Special Issue on Liquid Matter 2017.
D Frenkel
– Journal of Physics: Condensed Matter
(2018)
30,
290301
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
Optical fibre-tip probes for SERS: numerical study for design considerations
T Hutter, SR Elliott, S Mahajan
– Optics Express
(2018)
26,
15539
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)
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
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
Energy Landscapes of Mini-Dumbbell DNA Octanucleotides
JS Klimavicz, K Röder, DJ Wales
– Journal of Chemical Theory and Computation
(2018)
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
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

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