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Currently displaying 3581 - 3600 of 31132 publications

Free energy of chain molecules

D Frenkel, B Smit

(2023)

351

(doi: 10.1016/b978-0-32-390292-2.00020-9)

Water oxidation and oxygen reduction reactions: A mechanistic perspective

S Chattopadhyay, S Samanta, A Dey

(2023)

(doi: 10.1016/bs.adioch.2022.07.005)

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)

Understanding Molecular Simulation

(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)

Introduction

D Frenkel, B Smit

(2023)

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

Chapter Ten Spin-constrained Hartree–Fock and the generator coordinate method for the 2-site Hubbard model

S De Baerdemacker, A Ayati, HGA Burton, X De Vriendt, P Bultinck, G Acke

(2023)

161

(doi: 10.1016/bs.aiq.2023.03.014)

1.14 Supramolecular chemistry of p-block elements

DS Wright, H-C Niu

(2023)

652

(doi: 10.1016/b978-0-12-823144-9.00004-2)

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)

735

(doi: 10.1039/d2qm01044e)

Temperature dependent fabrication of various rod and rhombohedral-shaped mesoporous Co₃O₄ 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)

11425

(doi: 10.1039/d3nj00598d)