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  • Currently displaying 3121 - 3140 of 30372 publications
Author(s)
Publication title
Journal Name
Publication year
Preface to the second edition
D Frenkel, B Smit
(2023)
Time-scale-separation problems in MD
D Frenkel, B Smit
(2023)
Temperature dependent fabrication of various rod and rhombohedral-shaped mesoporous Co 3 O 4 crystals and their capability towards elimination of toxic Cr( vi ) ions from the aquatic environment
U Sengupta, A Mukherjee, M Periyasamy, S Mukhopadhyay, KJ Jenkinson, AEH Wheatley, A Kar
New Journal of Chemistry
(2023)
47
Chapter 5 Computer experiments
D Frenkel, B Smit
(2023)
Free energy of chain molecules
D Frenkel, B Smit
(2023)
Understanding the limits of Li-NMC811 half-cells
RC McNulty, E Hampson, LN Cutler, CP Grey, WM Dose, LR Johnson
Journal of Materials Chemistry A
(2023)
11
Chapter 15 Rare events
D Frenkel, B Smit
(2023)
Functional polymers from CO2 as feedstock
CWS Yeung, GEKK Seah, AYX Tan, SY Tee, JYC Lim, SS Goh
(2023)
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
Chapter 3 Monte Carlo simulations
D Frenkel, B Smit
(2023)
Chapter 2 Thermodynamics and statistical mechanics
D Frenkel, B Smit
(2023)
A practical perspective on the potential of rechargeable Mg batteries
JA Blázquez, RR Maça, O Leonet, E Azaceta, A Mukherjee, Z Zhao-Karger, Z Li, A Kovalevsky, A Fernández-Barquín, AR Mainar, P Jankowski, L Rademacher, S Dey, SE Dutton, CP Grey, J Drews, J Häcker, T Danner, A Latz, D Sotta, MR Palacin, J-F Martin, JMG Lastra, M Fichtner, S Kundu, A Kraytsberg, Y Ein-Eli, M Noked, D Aurbach
Energy & Environmental Science
(2023)
16
Expert perceptions of game-changing innovations towards net zero
S Perdana, G Xexakis, K Koasidis, M Vielle, A Nikas, H Doukas, A Gambhir, A Anger-Kraavi, E May, B McWilliams, B Boitier
Energy Strategy Reviews
(2023)
45
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
NA Hartley, SM Pugh, Z Xu, DCY Leong, A Jaffe, AC Forse
Journal of Materials Chemistry A
(2023)
11
Chapter 7 Molecular Dynamics in various ensembles
D Frenkel, B Smit
(2023)
Substituent effects on aromatic interactions in water †
G Tobajas-Curiel, Q Sun, JKM Sanders, P Ballester, CA Hunter
Chemical Science
(2023)
14
Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
PMD Hijes, JR Espinosa, C Vega, C Dellago
(2022)
Dynamic Diastereomerism on Chiral Surfaces
SC Matysik, DJ Wales, SJ Jenkins
The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter
(2022)
127
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
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