Publications | Yusuf Hamied Department of Chemistry

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Currently displaying 3101 - 3120 of 30389 publications

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

538

(doi: 10.17863/CAM.93992)

Rare events

D Frenkel, B Smit

(2023)

515

(doi: 10.1016/b978-0-32-390292-2.00026-x)

Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions

CC Lam, JM Goodman

Chemical Science

(2023)

14

12355

(doi: 10.1039/d3sc03009a)

Cu 2 SiSe 3 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

14833

(doi: 10.1039/d3ta02429f)

Targeted delivery of nanoparticles to a heterogeneous crude oil zone in an unsaturated porous medium

N Jaberi, S Linley, NR Thomson

Environmental Science Water Research and Technology

(2023)

9

1518

(doi: 10.1039/d3ew00130j)

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)

47

11425

(doi: 10.1039/d3nj00598d)

Ultrahigh overall-performance phase-change memory by yttrium dragging

B Liu, K Li, J Zhou, L Wu, Z Song, W Zhao, SR Elliott, Z Sun

Journal of Materials Chemistry C

(2023)

11

1360

(doi: 10.1039/d2tc04538a)

Preface to the second edition

D Frenkel, B Smit

(2023)

xix

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

Chapter 12 Configurational-bias Monte Carlo

D Frenkel, B Smit

(2023)

405

(doi: 10.1016/b978-0-32-390292-2.00023-4)

Water oxidation and oxygen reduction reactions: A mechanistic perspective

S Chattopadhyay, S Samanta, A Dey

(2023)

81

1

(doi: 10.1016/bs.adioch.2022.07.005)

Accelerating Monte Carlo sampling

D Frenkel, B Smit

(2023)

455

(doi: 10.1016/b978-0-32-390292-2.00024-6)

Time-scale-separation problems in MD

D Frenkel, B Smit

(2023)

493

(doi: 10.1016/b978-0-32-390292-2.00025-8)

Chapter 2 Thermodynamics and statistical mechanics

D Frenkel, B Smit

(2023)

11

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

Introduction

D Frenkel, B Smit

(2023)

1

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

In silico prediction of protodeboronation by a mechanistic DFT-aided algorithm

DS Wigh, M Tissot, P Pasau, JM Goodman, AA Lapkin

Aiche Annual Meeting Conference Proceedings

(2023)

2023-November

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

8487

(doi: 10.1039/d2ra07166e)

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

D-G Oprea, HGA Burton

(2023)

88

249

(doi: 10.1016/bs.aiq.2023.01.012)

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

18843

(doi: 10.1039/d3ta02820h)

Long-ranged interactions

D Frenkel, B Smit

(2023)

371

(doi: 10.1016/b978-0-32-390292-2.00022-2)

Cation disorder dominates the defect chemistry of high-voltage LiMn 1.5 Ni 0.5 O 4 (LMNO) spinel cathodes

J Cen, B Zhu, SR Kavanagh, AG Squires, DO Scanlon

Journal of Materials Chemistry A

(2023)

11

13353

(doi: 10.1039/d3ta00532a)