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  • Currently displaying 3541 - 3560 of 31095 publications
Author(s)
Publication title
Journal Name
Publication year
Understanding Molecular Simulation
(2023)
Pseudocapacitive gels based on conjugated polyelectrolytes: thickness and ion diffusion limitations
RJ Vázquez, G Quek, Y Jiang, BY Rui Peng, SR McCuskey, D Ohayon, B Kundukad, X Wang, GC Bazan
Journal of Materials Chemistry A
(2023)
11
Preface to the third edition
D Frenkel, B Smit
(2023)
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
Exploring the chemical space of phenyl sulfide oxidation by automated optimization
P Mueller, A Vriza, AD Clayton, OS May, N Govan, S Notman, SV Ley, TW Chamberlain, RA Bourne
Reaction Chemistry & Engineering
(2023)
8
Preface to the second edition
D Frenkel, B Smit
(2023)
Free energies of solids
D Frenkel, B Smit
(2023)
Preface to first edition
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
Replication of synthetic recognition-encoded oligomers by ligation of trimer building blocks
D Núñez-Villanueva, CA Hunter
Organic Chemistry Frontiers
(2023)
10
Chapter 11 Long-ranged interactions
D Frenkel, B Smit
(2023)
1.14 Supramolecular chemistry of p-block elements
DS Wright, H-C Niu
(2023)
Chapter 5 Computer experiments
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 3 Monte Carlo simulations
D Frenkel, B Smit
(2023)
Accelerating Monte Carlo sampling
D Frenkel, B Smit
(2023)
Chapter Fourteen Convergence of Møller–Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(2023)
88
Chapter 1 Introduction
D Frenkel, B Smit
(2023)
Monte Carlo simulations in various ensembles
D Frenkel, B Smit
(2023)
Chapter 7 Molecular Dynamics in various ensembles
D Frenkel, B Smit
(2023)