Yusuf Hamied Department of Chemistry

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  • Currently displaying 3321 - 3340 of 30704 publications
Author(s)
Publication title
Journal Name
Publication year
Chapter 1 Introduction
D Frenkel, B Smit
(2023)
(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
Chapter 4 Molecular Dynamics simulations
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00012-x)
Long-ranged interactions
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00022-2)
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 and Engineering
(2023)
8
(doi: 10.17863/CAM.93992)
Chapter 13 Accelerating Monte Carlo sampling
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00024-6)
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 & Technology
(2023)
9
(doi: 10.1039/d3ew00130j)
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
(doi: 10.1039/d2ce01529c)
Functional polymers from CO2 as feedstock
CWS Yeung, GEKK Seah, AYX Tan, SY Tee, JYC Lim, SS Goh
(2023)
(doi: 10.1016/b978-0-323-91198-6.00005-x)
Chapter 8 Free-energy calculations
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00018-0)
Understanding Molecular Simulation: From Algorithms to Applications, Third Edition
(2023)
(doi: 10.1016/C2009-0-63921-0)
Substituent effects on aromatic interactions in water
G Tobajas-Curiel, Q Sun, JKM Sanders, P Ballester, CA Hunter
Chemical Science
(2023)
14
(doi: 10.1039/d3sc01027a)
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)
Concerted versus stepwise mechanisms of cyclic proton transfer: Experiments, simulations, and current challenges
Y-H Cheng, Y-C Zhu, X-Z Li, W Fang
Chinese Physics B
(2023)
32
(doi: 10.1088/1674-1056/ac98a5)
Enantioselective C–C bond formation in complex multicatalytic systems
L Veth, P Dydio
(2023)
73
(doi: 10.1016/bs.acat.2023.07.007)
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
(doi: 10.1039/d3ta00912b)
Time-scale-separation problems in MD
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00025-8)
Rare events
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00026-x)
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
(doi: 10.1039/d3ta02429f)
Chapter 9 Free energies of solids
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00019-2)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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