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Liu, Haiyan, Müller-Plathe, Florian, van Gunsteren, Wilfred F. (1996) Molecular Dynamics with a Quantum-Chemical Potential: Solvent Effects on an SN2 Reaction at Nitrogen. Chemistry - A European Journal, 2 (2). 191-195 doi:10.1002/chem.19960020211

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Reference TypeJournal (article/letter/editorial)
TitleMolecular Dynamics with a Quantum-Chemical Potential: Solvent Effects on an SN2 Reaction at Nitrogen
JournalChemistry - A European Journal
AuthorsLiu, HaiyanAuthor
Müller-Plathe, FlorianAuthor
van Gunsteren, Wilfred F.Author
Year1996 (February)Volume2
Issue2
PublisherWiley
DOIdoi:10.1002/chem.19960020211Search in ResearchGate
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Mindat Ref. ID8214384Long-form Identifiermindat:1:5:8214384:6
GUID0
Full ReferenceLiu, Haiyan, Müller-Plathe, Florian, van Gunsteren, Wilfred F. (1996) Molecular Dynamics with a Quantum-Chemical Potential: Solvent Effects on an SN2 Reaction at Nitrogen. Chemistry - A European Journal, 2 (2). 191-195 doi:10.1002/chem.19960020211
Plain TextLiu, Haiyan, Müller-Plathe, Florian, van Gunsteren, Wilfred F. (1996) Molecular Dynamics with a Quantum-Chemical Potential: Solvent Effects on an SN2 Reaction at Nitrogen. Chemistry - A European Journal, 2 (2). 191-195 doi:10.1002/chem.19960020211
In(1996, February) Chemistry - A European Journal Vol. 2 (2) Wiley

See Also

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Liu, Haiyan, Müller‐Plathe, Florian, van Gunsteren, Wilfred F. (1995) A molecular dynamics simulation study with a combined quantum mechanical and molecular mechanical potential energy function: Solvation effects on the conformational equilibrium of dimethoxyethane. The Journal of Chemical Physics, 102 (4). 1722-1730 doi:10.1063/1.468699
Liu, Haiyan, Müller-Plathe, Florian, van Gunsteren, Wilfred F. (1996) A Combined Quantum/Classical Molecular Dynamics Study of the Catalytic Mechanism of HIV Protease. Journal of Molecular Biology, 261 (3). 454-469 doi:10.1006/jmbi.1996.0476
Berweger, Christian D., van Gunsteren, Wilfred F., Müller-Plathe, Florian (1999) Viscosity dependence and solvent effects in the photoisomerization of cis-stilbene: Insight from a molecular dynamics study with an ab initio potential-energy function. The Journal of Chemical Physics, 111 (19). 8987-8999 doi:10.1063/1.480242
Müller-Plathe, Florian, Scott, Walter, van Gunsteren, Wilfred F. (1994) PARALLACS: a benchmark for parallel molecular dynamics. Computer Physics Communications, 84. 102-114 doi:10.1016/0010-4655(94)90206-2
Berweger, Christian D., van Gunsteren, Wilfred F., Müller-Plathe, Florian (1998) Molecular dynamics simulation with an ab initio potential energy function and finite element interpolation: The photoisomerization of cis-stilbene in solution. The Journal of Chemical Physics, 108 (21). 8773-8781 doi:10.1063/1.475397
Müller-Plathe, Florian, Laaksonen, Leif, van Gunsteren, Wilfred F. (1993) Cooperative effects in the transport of small molecules through an amorphous polymer matrix. Journal of Molecular Graphics, 11 (2). 118-120 doi:10.1016/0263-7855(93)87006-q
Liu, Haiyan, Mueller-Plathe, Florian, van Gunsteren, Wilfred F. (1995) A Force Field for Liquid Dimethyl Sulfoxide and Physical Properties of Liquid Dimethyl Sulfoxide Calculated Using Molecular Dynamics Simulation. Journal Of The American Chemical Society, 117 (15) 4363-4366 doi:10.1021/ja00120a018
Berweger, Christian D., van Gunsteren, Wilfred F., M�ller-Plathe, Florian (1997) Finite element interpolation for combined classical/quantum mechanical molecular dynamics simulations. Journal of Computational Chemistry, 18 (12). 1484-1495 doi:10.1002/(sici)1096-987x(199709)18:12<1484::aid-jcc6>3.0.co;2-f
Müller‐Plathe, Florian, Rogers, Stephen C., van Gunsteren, Wilfred F. (1993) Gas sorption and transport in polyisobutylene: Equilibrium and nonequilibrium molecular dynamics simulations. The Journal of Chemical Physics, 98 (12). 9895-9904 doi:10.1063/1.464369
Njo, Swie Lan, van Gunsteren, Wilfred F., Müller‐Plathe, Florian (1995) Determination of force field parameters for molecular simulation by molecular simulation: An application of the weak‐coupling method. The Journal of Chemical Physics, 102 (15). 6199-6207 doi:10.1063/1.469065
Müller‐Plathe, Florian, van Gunsteren, Wilfred F. (1995) Computer simulation of a polymer electrolyte: Lithium iodide in amorphous poly(ethylene oxide). The Journal of Chemical Physics, 103 (11). 4745-4756 doi:10.1063/1.470611
 
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