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  • Currently displaying 2981 - 3000 of 30197 publications
Author(s)
Publication title
Journal Name
Publication year
Energy Landscapes for Proteins Described by the Unres Coarse-Grained Potential
PA WesoĊ‚owski, AK Sieradzan, MJ Winnicki, JW Morgan, DJ Wales
(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
Substituent effects on aromatic interactions in water †
G Tobajas-Curiel, Q Sun, JKM Sanders, P Ballester, CA Hunter
Chemical Science
(2023)
14
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
Molecular Dynamics simulations
D Frenkel, B Smit
(2023)
Preface to the second edition
D Frenkel, B Smit
(2023)
Direct surface analysis mass spectrometry uncovers the vertical distribution of cuticle-associated metabolites in plants
S Saladin, S D'Aronco, G Ingram, C Giorio
RSC Advances
(2023)
13
Under pressure: offering fundamental insight into structural changes on ball milling battery materials
LL Driscoll, EH Driscoll, B Dong, FN Sayed, JN Wilson, CA O'Keefe, DJ Gardner, CP Grey, PK Allan, AAL Michalchuk, PR Slater
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
16
Chapter 15 Rare events
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
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
Cu2SiSe3 as a promising solar absorber: harnessing cation dissimilarity to avoid killer antisites
A Nicolson, SR Kavanagh, CN Savory, GW Watson, DO Scanlon
Journal of Materials Chemistry A
(2023)
11
Accelerating Monte Carlo sampling
D Frenkel, B Smit
(2023)
Modulated self-assembly ofhcptopology MOFs of Zr/Hf and the extended 4,4′-(ethyne-1,2-diyl)dibenzoate linker
SS Boyadjieva, FCN Firth, MR Alizadeh Kiapi, D Fairen-Jimenez, S Ling, MJ Cliffe, RS Forgan
CrystEngComm
(2023)
25
Preface to the third edition
D Frenkel, B Smit
(2023)
Chapter 14 Time-scale-separation problems in MD
D Frenkel, B Smit
(2023)
Supramolecular chemistry of p-block elements
DS Wright, H-C Niu
(2023)
1-10
Cation disorder dominates the defect chemistry of high-voltage LiMn1.5Ni0.5O4 (LMNO) spinel cathodes
J Cen, B Zhu, SR Kavanagh, AG Squires, DO Scanlon
Journal of Materials Chemistry A
(2023)
11
Computer experiments
D Frenkel, B Smit
(2023)
Preface to first edition
D Frenkel, B Smit
(2023)