Yusuf Hamied Department of Chemistry

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  • Currently displaying 3681 - 3700 of 31556 publications
Author(s)
Publication title
Journal Name
Publication year
Chapter 13 Accelerating Monte Carlo sampling
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00024-6)
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
Expert perceptions of game-changing innovations towards net zero
S Perdana, G Xexakis, K Koasidis, M Vielle, A Nikas, H Doukas, A Gambhir, A Anger-Kraavi, E May, B McWilliams, B Boitier
Energy Strategy Reviews
(2023)
45
(doi: 10.1016/j.esr.2022.101022)
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)
Energy Landscapes for Proteins Described by the Unres Coarse-Grained Potential
PA Wesołowski, AK Sieradzan, MJ Winnicki, JW Morgan, DJ Wales
(2023)
(doi: 10.2139/ssrn.4479330)
Temperature dependent fabrication of various rod and rhombohedral-shaped mesoporous Co 3 O 4 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
(doi: 10.1039/d3nj00598d)
Monte Carlo simulations in various ensembles
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00015-5)
Chapter 12 Configurational-bias Monte Carlo
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00023-4)
Long-ranged interactions
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00022-2)
Chapter 7 Molecular Dynamics in various ensembles
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00016-7)
Chapter 10 Free energy of chain molecules
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00020-9)
Chapter 14 Time-scale-separation problems in MD
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00025-8)
Chapter 2 Thermodynamics and statistical mechanics
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00010-6)
Chapter 5 Computer experiments
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00013-1)
Chapter 15 Rare events
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00026-x)
Preface to the third edition
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00005-2)
Monte Carlo simulations
D Frenkel, B Smit
(2023)
(doi: 10.1016/b978-0-32-390292-2.00011-8)
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)
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
NA Hartley, SM Pugh, Z Xu, DCY Leong, A Jaffe, AC Forse
Journal of Materials Chemistry A
(2023)
11
(doi: 10.1039/d3ta02213g)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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