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  • Currently displaying 7181 - 7200 of 29854 publications
Author(s)
Publication title
Journal Name
Publication year
Predicting Pathways Between Distant Configurations for Biomolecules
K Röder, DJ Wales
Journal of Chemical Theory and Computation
(2018)
14
Structure Prediction of Li-Sn and Li-Sb Intermetallics for Lithium-Ion Batteries Anodes (vol 29, pg 5787, 2017)
M Mayo, JP Darby, ML Evans, JR Nelson, AJ Morris
Chemistry of Materials
(2018)
30
Mitotic phosphorylation regulates Hsp72 spindle localization by uncoupling ATP binding from substrate release.
M Mukherjee, S Sabir, L O'Regan, J Sampson, MW Richards, N Huguenin-Dezot, JR Ault, JW Chin, A Zhuravleva, AM Fry, R Bayliss
Science signaling
(2018)
11
Solar Water Splitting with a Hydrogenase Integrated in Photoelectrochemical Tandem Cells
DH Nam, JZ Zhang, V Andrei, N Kornienko, N Heidary, A Wagner, K Nakanishi, KP Sokol, B Slater, I Zebger, S Hofmann, JC Fontecilla‐Camps, CB Park, E Reisner
Angewandte Chemie
(2018)
130
Atropselective Oxidation of 2,2',3,3',4,6'-Hexachlorobiphenyl (PCB 132) to Hydroxylated Metabolites by Human Liver Microsomes: Involvement of Arene Oxide Intermediates
Z-H Goh
(2018)
Hydrogen transfer through different crystal phases of nickel oxy/hydroxide.
Y Elbaz, D Furman, M Caspary Toroker
Phys Chem Chem Phys
(2018)
20
Photophysics of Xanthene Dyes at High Concentrations in Solid Environments: Charge Transfer Assisted Triplet Formation
YE Litman, HB Rodríguez, SE Braslavsky, E San Román
Photochem Photobiol
(2018)
94
Solar Water Splitting with a Hydrogenase Integrated in Photoelectrochemical Tandem Cells
DH Nam, JZ Zhang, V Andrei, N Kornienko, N Heidary, A Wagner, K Nakanishi, KP Sokol, B Slater, I Zebger, S Hofmann, JC Fontecilla-Camps, CB Park, E Reisner
Angewandte Chemie - International Edition
(2018)
57
i-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, A Cuzzocrea, RH Meißner, DM Wilkins, P Juda, SP Bienvenue, W Fang, J Kessler, I Poltavsky, S Vandenbrande, J Wieme, C Corminboeuf, TD Kühne, DE Manolopoulos, TE Markland, JO Richardson, A Tkatchenko, GA Tribello, VV Speybroeck, M Ceriotti
(2018)
Monolithic Photoelectrochemical Device for Direct Water Splitting with 19% Efficiency
W-H Cheng, MH Richter, MM May, J Ohlmann, D Lackner, F Dimroth, T Hannappel, HA Atwater, H-J Lewerenz
ACS Energy Letters
(2018)
3
Hamiltonian Transformation to Compute Thermo-osmotic Forces.
R Ganti, Y Liu, D Frenkel
Phys Rev Lett
(2018)
121
Visualizing Nanoscale Coronal Segregation in Rod-Like Micelles Formed by Co-Assembly of Binary Block Copolymer Blends.
M Cruz, J Xu, Q Yu, G Guerin, I Manners, MA Winnik
Macromolecular rapid communications
(2018)
39
3D Printed Ion-Selective Field Effect Transistors
C Bao, M Kaur, Y Kwack, W-S Choi, Y Lee, T-W Lee, WS Kim
2018 INTERNATIONAL FLEXIBLE ELECTRONICS TECHNOLOGY CONFERENCE (IFETC)
(2018)
00
Imaging and modelling of liquid transport in timber through in-situ X-ray CT and highresolution μ-CT
M Ramage, R Pini, H Burridge, S Shah, G Wu, T Reynolds, P Linden
(2018)
Comprehensive Characterization of Cancer Driver Genes and Mutations
MH Bailey, C Tokheim, E Porta-Pardo, S Sengupta, D Bertrand, A Weerasinghe, A Colaprico, MC Wendl, J Kim, B Reardon, P Kwok-Shing Ng, KJ Jeong, S Cao, Z Wang, J Gao, Q Gao, F Wang, EM Liu, L Mularoni, C Rubio-Perez, N Nagarajan, I Cortés-Ciriano, DC Zhou, W-W Liang, JM Hess, VD Yellapantula, D Tamborero, A Gonzalez-Perez, C Suphavilai, JY Ko, E Khurana, PJ Park, EM Van Allen, H Liang, MC3 Working Group, Cancer Genome Atlas Research Network, MS Lawrence, A Godzik, N Lopez-Bigas, J Stuart, D Wheeler, G Getz, K Chen, AJ Lazar, GB Mills, R Karchin, L Ding
Cell
(2018)
174
Nonlinear biases, stochastically sampled effective Hamiltonians, and spectral functions in quantum Monte Carlo methods
NS Blunt, A Alavi, GH Booth
Physical Review B
(2018)
98
Targeting Amyloid Aggregation: An Overview of Strategies and Mechanisms
S Giorgetti, C Greco, P Tortora, FA Aprile
(2018)
Coordination Cages Based on Bis(pyrazolylpyridine) Ligands: Structures, Dynamic Behavior, Guest Binding, and Catalysis.
MD Ward, CA Hunter, NH Williams
Accounts of chemical research
(2018)
51
Relaxation of long-lived modes in NMR of deuterated methyl groups.
KL Ivanov, T Kress, M Baudin, D Guarin, D Abergel, G Bodenhausen, D Kurzbach
The Journal of Chemical Physics
(2018)
149
Computational Methodology for Solubility Prediction: Application to Sparingly Soluble Organic/Inorganic Materials
L Li, T Totton, D Frenkel
Journal of Chemical Physics
(2018)
149