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  • Currently displaying 3301 - 3320 of 30657 publications
Author(s)
Publication title
Journal Name
Publication year
Chapter 10 Free energy of chain molecules
D Frenkel, B Smit
(2023)
Reducing non-radiative voltage losses in organic solar cells using molecular encapsulation
A Sharma, L Sharma, J Bertrandie, DR Villalva, Y Gao, CSP De Castro, J Troughton, J Gorenflot, F Laquai, H Bronstein, D Baran
Materials Chemistry Frontiers
(2023)
7
Automated pipetting robot for proxy high-throughput viscometry of Newtonian fluids
BW Soh, A Chitre, WY Lee, D Bash, JN Kumar, K Hippalgaonkar
Digital Discovery
(2023)
2
Free-energy calculations
D Frenkel, B Smit
(2023)
Chapter 7 Molecular Dynamics in various ensembles
D Frenkel, B Smit
(2023)
Thermodynamics and statistical mechanics
D Frenkel, B Smit
(2023)
Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
PMD Hijes, JR Espinosa, C Vega, C Dellago
(2022)
Ultrahigh-Throughput Directed Evolution of a Metal-Free α/β-Hydrolase with a Cys-His-Asp Triad into an Efficient Phosphotriesterase.
JD Schnettler, OJ Klein, TS Kaminski, P-Y Colin, F Hollfelder
Journal of the American Chemical Society
(2022)
145
Dynamic Diastereomerism on Chiral Surfaces
SC Matysik, DJ Wales, SJ Jenkins
The Journal of Physical Chemistry C
(2022)
127
Tie-line analysis reveals interactions driving heteromolecular condensate formation
D Qian, T Welsh, N Erkamp, S Qamar, J Nixon-Abell, G Krainer, P St George-Hyslop, T Michaels, T Knowles
Physical Review X
(2022)
12
Studies of hyperphosphorylated tau aggregation and cytotoxicity
J Meng
(2022)
Adsorption Behavior of the Coenzyme NADH at the Carbon/Electrolyte Interface Determined by Neutron Reflectometry
MH Wood, J Rubio-Lara, AJ Armstrong, RJL Welbourn
Langmuir : the ACS journal of surfaces and colloids
(2022)
39
Basis Set Limit CCSD(T) Energies for Extended Molecules via a Reduced-Cost Explicitly Correlated Approach
M Kállay, RA Horváth, L Gyevi-Nagy, PR Nagy
Journal of Chemical Theory and Computation
(2022)
19
Allosteric and Electrostatic Cooperativity in a Heteroditopic Halogen Bonding Receptor System
AJ Taylor, A Docker, PD Beer
Chemistry - An Asian Journal
(2022)
18
A Solid State NMR Investigation of Poly (ADP-ribose) and Its Involvement in Tissue Calcification
A Murgoci
(2022)
Quantitative Singlet Fission in Solution Processable Dithienohexatrienes
KJ Fallon, N Sawhney, DTW Toolan, A Sharma, W Zeng, S Montanaro, A Leventis, S Dowland, O Millington, D Congrave, A Bond, R Friend, A Rao, H Bronstein
Journal of the American Chemical Society
(2022)
144
Principles of assembly and regulation of condensates of Polycomb repressive complex 1 through phase separation
K Brown, PY Chew, S Ingersoll, JR Espinosa, A Aguirre, T Kutateladze, RC Guevara, X Ren
(2022)
A Kinetic Map of the Influence of Biomimetic Lipid Model Membranes on Aβ42 Aggregation.
KN Baumann, G Šneiderienė, M Sanguanini, M Schneider, O Rimon, A González Díaz, H Greer, D Thacker, S Linse, TPJ Knowles, M Vendruscolo
ACS chemical neuroscience
(2022)
14
Anion-polarisation-directed short-range-order in antiperovskite Li$_2$FeSO
SW Coles, V Falkowski, HS Geddes, GE Pérez, SG Booth, AG Squires, C O'Rourke, K McColl, AL Goodwin, SA Cussen, SJ Clarke, MS Islam, BJ Morgan
(2022)
Interplay of static and dynamic disorder in the mixed-metal chalcohalide Sn₂SbS₂I₃
A Nicolson, J Breternitz, SR Kavanagh, Y Tomm, K Morita, AG Squires, M Tovar, A Walsh, S Schorr, DO Scanlon
(2022)