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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
1832005
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
1631996
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
1572010
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
1451997
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
1412007
Computer simulation of liquid crystals
MP Allen, MR Wilson
Journal of computer-aided molecular design 3, 335-353, 1989
1401989
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
1292011
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
Atomistic simulations of a thermotropic biaxial liquid crystal
J Peláez, MR Wilson
Physical review letters 97 (26), 267801, 2006
1252006
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
1251993
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
1091992
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
1012002
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
962007
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—Statistical, Nonlinear, and Soft Matter Physics 71 (2 …, 2005
872005
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
842002
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
822013
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
811998
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
802005
Theory and computer simulation for the cubatic phase of cut spheres
PD Duncan, M Dennison, AJ Masters, MR Wilson
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 79 (3 …, 2009
782009
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
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