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Currently displaying 3561 - 3580 of 31110 publications

The effect of substituents on the aggregation-induced emission of 9,10-phenanthraquinone-hydrazones

N Kumar M, DL Lyngkhoi, S Gaikwad, D Samanta, S Khatua, S Pramanik

New Journal of Chemistry

(2023)

15066

(doi: 10.1039/d3nj02198j)

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)

18843

(doi: 10.1039/d3ta02820h)

Understanding Molecular Simulation: From Algorithms to Applications, Third Edition

(2023)

(doi: 10.1016/c2009-0-63921-0)

Preface to the third edition

D Frenkel, B Smit

(2023)

(doi: 10.1016/b978-0-32-390292-2.00005-2)

Free-energy calculations

D Frenkel, B Smit

(2023)

263

(doi: 10.1016/b978-0-32-390292-2.00018-0)

Chapter 1 Introduction

D Frenkel, B Smit

(2023)

(doi: 10.1016/b978-0-32-390292-2.00008-8)

Chapter Fourteen Convergence of Møller–Plesset perturbation theory for excited reference states

D-G Oprea, HGA Burton

(2023)

249

(doi: 10.1016/bs.aiq.2023.01.012)

Supramolecular chemistry of p-block elements

DS Wright, H-C Niu

(2023)

1-10

652

(doi: 10.1016/B978-0-12-823144-9.00004-2)

Preface to the second edition

D Frenkel, B Smit

(2023)

xix

(doi: 10.1016/b978-0-32-390292-2.00006-4)

Preface to first edition

D Frenkel, B Smit

(2023)

xxi

(doi: 10.1016/b978-0-32-390292-2.00007-6)

Chapter 2 Thermodynamics and statistical mechanics

D Frenkel, B Smit

(2023)

(doi: 10.1016/b978-0-32-390292-2.00010-6)

Probing the effects of N-terminal acetylation on α-synuclein structure, aggregation and cytotoxicity

R Bell, M Vendruscolo, JR Kumita

Methods in Enzymology

(2023)

686

(doi: 10.1016/bs.mie.2022.09.003)

Chapter 3 Monte Carlo simulations

D Frenkel, B Smit

(2023)

(doi: 10.1016/b978-0-32-390292-2.00011-8)

Chapter 5 Computer experiments

D Frenkel, B Smit

(2023)

125

(doi: 10.1016/b978-0-32-390292-2.00013-1)

Chapter 9 Free energies of solids

D Frenkel, B Smit

(2023)

323

(doi: 10.1016/b978-0-32-390292-2.00019-2)

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)

14833

(doi: 10.1039/d3ta02429f)

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 and Environmental Science

(2023)

1964

(doi: 10.1039/d2ee04121a)