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Glättli, Alice, Daura, Xavier, van Gunsteren, Wilfred F. (2002) Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L. The Journal of Chemical Physics, 116 (22). 9811-9828 doi:10.1063/1.1476316

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Reference TypeJournal (article/letter/editorial)
TitleDerivation of an improved simple point charge model for liquid water: SPC/A and SPC/L
JournalThe Journal of Chemical Physics
AuthorsGlättli, AliceAuthor
Daura, XavierAuthor
van Gunsteren, Wilfred F.Author
Year2002 (June 8)Volume116
Issue22
PublisherAIP Publishing
DOIdoi:10.1063/1.1476316Search in ResearchGate
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Mindat Ref. ID2269142Long-form Identifiermindat:1:5:2269142:8
GUID0
Full ReferenceGlättli, Alice, Daura, Xavier, van Gunsteren, Wilfred F. (2002) Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L. The Journal of Chemical Physics, 116 (22). 9811-9828 doi:10.1063/1.1476316
Plain TextGlättli, Alice, Daura, Xavier, van Gunsteren, Wilfred F. (2002) Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L. The Journal of Chemical Physics, 116 (22). 9811-9828 doi:10.1063/1.1476316
In(2002, June) The Journal of Chemical Physics Vol. 116 (22) AIP Publishing

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Glättli, Alice, Daura, Xavier, Van Gunsteren, Wilfred F. (2003) A novel approach for designing simple point charge models for liquid water with three interaction sites. Journal of Computational Chemistry, 24 (9). 1087-1096 doi:10.1002/jcc.10235
Glättli, Alice, Daura, Xavier, Seebach, Dieter, van Gunsteren, Wilfred F. (2002) Can One Derive the Conformational Preference of a β-Peptide from Its CD Spectrum?. Journal Of The American Chemical Society, 124 (44) 12972-12978 doi:10.1021/ja020758d
Smith, Paul E., van Gunsteren, Wilfred F. (1993) The viscosity of SPC and SPC/E water at 277 and 300 K. Chemical Physics Letters, 215. 315-318 doi:10.1016/0009-2614(93)85720-9
Bachmann, Stephan J., van Gunsteren, Wilfred F. (2014) An improved simple polarisable water model for use in biomolecular simulation. The Journal of Chemical Physics, 141 (22). 22pp. doi:10.1063/1.4897976
Armstrong, J. A., Bresme, F. (2013) Water polarization induced by thermal gradients: The extended simple point charge model (SPC/E). The Journal of Chemical Physics, 139 (1). 14504pp. doi:10.1063/1.4811291
Schuler, Lukas D., Daura, Xavier, van Gunsteren, Wilfred F. (2001) An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase. Journal of Computational Chemistry, 22 (11). 1205-1218 doi:10.1002/jcc.1078
Smith, Paul E., van Gunsteren, Wilfred F. (1994) Consistent dielectric properties of the simple point charge and extended simple point charge water models at 277 and 300 K. The Journal of Chemical Physics, 100 (4). 3169-3174 doi:10.1063/1.466407
Keller, Bettina, Daura, Xavier, van Gunsteren, Wilfred F. (2010) Comparing geometric and kinetic cluster algorithms for molecular simulation data. The Journal of Chemical Physics, 132 (7). 74110pp. doi:10.1063/1.3301140
Yu, Haibo, Hansson, Tomas, van Gunsteren, Wilfred F. (2003) Development of a simple, self-consistent polarizable model for liquid water. The Journal of Chemical Physics, 118 (1). 221-234 doi:10.1063/1.1523915
Glättli, Alice, van Gunsteren, Wilfred F. (2004) Are NMR-Derived Model Structures for β-Peptides Representative for the Ensemble of Structures Adopted in Solution?. Angewandte Chemie, 116 (46). 6472-6476 doi:10.1002/ange.200460384
Daura, Xavier, Suter, Raymond, van Gunsteren, Wilfred F. (1999) Validation of molecular simulation by comparison with experiment: Rotational reorientation of tryptophan in water. The Journal of Chemical Physics, 110 (6). 3049-3055 doi:10.1063/1.477900
 
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