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Yusuf Hamied Department of Chemistry

 

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  • Currently displaying 7761 - 7780 of 29425 publications
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces
M Fitzner, L Joly, M Ma, GC Sosso, A Zen, A Michaelides
– Journal of Chemical Physics
(2017)
147,
121102
The Significance of the Amorphous Potential Energy Landscape for Dictating Glassy Dynamics and Driving Solid-State Crystallisation
M Ruggiero, M Krynski, EO Kissi, J Sibik, D Markl, N Tan, D Arslanov, W van der Zande, B Redlich, T Korter, H Grohganz, K Lobmann, T Rades, S Elliott, A Zeitler
(2017)
Molecular simulation study of CO2 and N2 absorption in a phosphonium based organic ionic plastic crystal.
VS Kandagal, F Chen, E Jónsson, JM Pringle, M Forsyth
– The Journal of Chemical Physics
(2017)
147,
124703
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion.
CJC Scott, AJW Thom
– Journal of Chemical Physics
(2017)
147,
124105
Buildup of Redox‐Responsive Hybrid from Polyoxometalate and Redox‐Active Conducting Oligomer: Its Self‐Assemblies with Controllable Morphologies
S She, Z Huang, P Yin, A Bayaguud, H Jia, Y Huang, Y Wei, Y Wei
– Chemistry – A European Journal
(2017)
23,
14860
Target identification of $\textit{Mycobacterium tuberculosis phenotypic}$ hits using a concerted chemogenomic, biophysical and structural approach
G Mugumbate, V Silva E Costa Mendes, M Blaszczyk, M Sabbah, G Papadatos, J Lelievre, L Ballell, D Barros, C Abell, TL Blundell, JP Overington
– Frontiers in Pharmacology
(2017)
8,
681
X-ray diffraction analysis of cubic zincblende III-nitrides
M Frentrup, LYL Lee, S-L Sahonta, MJ Kappers, F Massabuau, P Gupta, RA Oliver, CJ Humphreys, DJ Wallis
– Journal of Physics D: Applied Physics
(2017)
50,
433002
Kinetic constraints on self-assembly into closed supramolecular structures
TCT Michaels, MMJ Bellaiche, MF Hagan, TPJ Knowles
– Sci Rep
(2017)
7,
12295
ESICM LIVES 2017
– Intensive Care Med Exp
(2017)
5(Suppl 2),
44
Machine learning techniques for improving prediction of unplanned intensive care readmission
A Ercole, R Desautels, R Das, J Calvert, M Trivedi, C Summers, D Wales
(2017)
What makes a good descriptor for heterogeneous ice nucleation on OH-patterned surfaces
P Pedevilla, M Fitzner, A Michaelides
– Physical Review B
(2017)
96,
115441
Role of Salt, Pressure, and Water Activity on Homogeneous Ice Nucleation.
JR Espinosa, GD Soria, J Ramirez, C Valeriani, C Vega, E Sanz
– Journal of Physical Chemistry Letters
(2017)
8,
4486
Interfacial structure and structural forces in mixtures of ionic liquid with a polar solvent
SW Coles, AM Smith, MV Fedorov, F Hausen, S Perkin
– Faraday Discussions
(2017)
206,
427
Kinetic Analysis of Copper(I)/Feringa-Phosphoramidite Catalyzed AlEt3 1,4-Addition to Cyclohex-2-en-1-one
D Willcox, R Nouch, A Kingsbury, D Robinson, JV Carey, S Brough, S Woodward
– ACS Catalysis
(2017)
7,
6901
Distinguishing relaxation dynamics in transiently crosslinked polymeric networks
CSY Tan, G Agmon, J Liu, D Hoogland, ER Janeček, EA Appel, OA Scherman
– Polymer Chemistry
(2017)
8,
5336
meta‐Selective C−H Borylation of Benzylamine‐, Phenethylamine‐, and Phenylpropylamine‐Derived Amides Enabled by a Single Anionic Ligand
HJ Davis, GR Genov, RJ Phipps
– Angewandte Chemie International Edition
(2017)
56,
13351
Light-Driven H2 Evolution and C=C or C=O Bond Hydrogenation by Shewanella oneidensis: A Versatile Strategy for Photocatalysis by Nonphotosynthetic Microorganisms
SF Rowe, G Le Gall, EV Ainsworth, JA Davies, CWJ Lockwood, L Shi, A Elliston, IN Roberts, KW Waldron, DJ Richardson, TA Clarke, LJC Jeuken, E Reisner, JN Butt
– ACS Catalysis
(2017)
7,
7558
Low temperature growth of fully covered single-layer graphene using a CoCu catalyst.
H Sugime, L D'Arsié, S Esconjauregui, G Zhong, X Wu, E Hildebrandt, H Sezen, M Amati, L Gregoratti, RS Weatherup, J Robertson
– Nanoscale
(2017)
9,
14467
Nanopore extended field-effect transistor for selective single-molecule biosensing.
R Ren, Y Zhang, BP Nadappuram, B Akpinar, D Klenerman, AP Ivanov, JB Edel, Y Korchev
– Nat Commun
(2017)
8,
586
Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals
W Fang, JO Richardson, J Chen, X-Z Li, A Michaelides
– Physical review letters
(2017)
119,
126001