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Mark R. Wilson
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Progress in computer simulations of liquid crystals
MR Wilson
International Reviews in Physical Chemistry 24 (3-4), 421-455, 2005
1822005
Molecular dynamics calculation of elastic constants in Gay–Berne nematic liquid crystals
MP Allen, MA Warren, MR Wilson, A Sauron, W Smith
The Journal of chemical physics 105 (7), 2850-2858, 1996
1601996
Molecular order in a chromonic liquid crystal: a molecular simulation study of the anionic azo dye sunset yellow
F Chami, MR Wilson
Journal of the American Chemical Society 132 (22), 7794-7802, 2010
1512010
Molecular dynamics simulations of flexible liquid crystal molecules using a Gay-Berne/Lennard-Jones model
MR Wilson
The Journal of chemical physics 107 (20), 8654-8663, 1997
1431997
Molecular simulation of liquid crystals: progress towards a better understanding of bulk structure and the prediction of material properties
MR Wilson
Chemical Society Reviews 36 (12), 1881-1888, 2007
1332007
Computer simulation of liquid crystals
MP Allen, MR Wilson
Journal of computer-aided molecular design 3, 335-353, 1989
1321989
Computer simulations of mesogenic molecules using realistic atom-atom potentials
MR Wilson, MP Allen
Molecular Crystals and Liquid Crystals 198 (1), 465-477, 1991
1291991
Computer simulation study of liquid crystal formation in a semi-flexible system of linked hard spheres
MR Wilson, MP Allen
Molecular Physics 80 (2), 277-295, 1993
1241993
Atomistic simulations of a thermotropic biaxial liquid crystal
J Peláez, MR Wilson
Physical review letters 97 (26), 267801, 2006
1232006
The Uncatalyzed Direct Amide Formation Reaction–Mechanism Studies and the Key Role of Carboxylic Acid H‐Bonding
H Charville, DA Jackson, G Hodges, A Whiting, MR Wilson
European Journal of Organic Chemistry 2011 (30), 5981-5990, 2011
1182011
Structure of trans-4-(trans-4-n-pentylcyclohexyl)cyclohexylcarbonitrile (CCH5) in the isotropic and nematic phases: a computer simulation study
MR Wilson, MP Allen
Liquid Crystals 12 (1), 157-176, 1992
1101992
A domain decomposition molecular dynamics program for the simulation of flexible molecules of spherically-symmetrical and nonspherical sites. II. Extension to NVT and NPT ensembles
JM Ilnytskyi, MR Wilson
Computer physics communications 148 (1), 43-58, 2002
982002
Molecular orientational and dipolar correlation in the liquid crystal mixture E7: a molecular dynamics simulation study at a fully atomistic level
J Peláez, M Wilson
Physical Chemistry Chemical Physics 9 (23), 2968-2975, 2007
912007
Induced and spontaneous deracemization in bent-core liquid crystal phases and in other phases doped with bent-core molecules
DJ Earl, MA Osipov, H Takezoe, Y Takanishi, MR Wilson
Physical Review E 71 (2), 021706, 2005
862005
Modulation of global low-frequency motions underlies allosteric regulation: demonstration in CRP/FNR family transcription factors
TL Rodgers, PD Townsend, D Burnell, ML Jones, SA Richards, ...
PLoS biology 11 (9), e1001651, 2013
802013
Parametrization and validation of a force field for liquid-crystal forming molecules
DL Cheung, SJ Clark, MR Wilson
Physical Review E 65 (5), 051709, 2002
802002
Molecular dynamics simulation of main chain liquid crystalline polymers
AV Lyulin, MS Al-Barwani, MP Allen, MR Wilson, I Neelov, NK Allsopp
Macromolecules 31 (14), 4626-4634, 1998
801998
Developing a force field for simulation of poly(ethylene oxide) based upon ab initio calculations of 1,2-dimethoxyethane
PM Anderson, MR Wilson*
Molecular Physics 103 (1), 89-97, 2005
772005
Replicated data and domain decomposition molecular dynamics techniques for simulation of anisotropic potentials
MR Wilson, MP Allen, MA Warren, A Sauron, W Smith
Journal of computational chemistry 18 (4), 478-488, 1997
771997
Theory and computer simulation for the cubatic phase of cut spheres
PD Duncan, M Dennison, AJ Masters, MR Wilson
Physical Review E 79 (3), 031702, 2009
752009
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