Liquid water simulations with the density fragment interaction approach.
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Fragment-based Quantum Mechanical/Molecular Mechanical Simulations of Thermodynamic and Kinetic Process of the Ru(2+)-Ru(3+) Self-Exchange Electron TransferA variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields.Classical electrostatics for biomolecular simulations.A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations.FDE-vdW: A van der Waals inclusive subsystem density-functional theory.On the subsystem formulation of linear-response time-dependent DFT.
P2860
Liquid water simulations with the density fragment interaction approach.
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article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on 02 April 2012
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Liquid water simulations with the density fragment interaction approach.
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Liquid water simulations with the density fragment interaction approach.
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type
label
Liquid water simulations with the density fragment interaction approach.
@en
Liquid water simulations with the density fragment interaction approach.
@nl
prefLabel
Liquid water simulations with the density fragment interaction approach.
@en
Liquid water simulations with the density fragment interaction approach.
@nl
P2093
P2860
P356
P1476
Liquid water simulations with the density fragment interaction approach.
@en
P2093
Weitao Yang
Xiancheng Zeng
Xiangqian Hu
Yingdi Jin
P2860
P304
P356
10.1039/C2CP23714H
P407
P577
2012-04-02T00:00:00Z