Efficient global representations of potential energy functions: trajectory calculations of bimolecular gas-phase reactions by multiconfiguration molecular mechanics.
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Concerted hydrogen atom and electron transfer mechanism for catalysis by lysine-specific demethylase.Gradient-based multiconfiguration Shepard interpolation for generating potential energy surfaces for polyatomic reactions.Application of Q2MM to predictions in stereoselective synthesisMulti-structural variational transition state theory: kinetics of the 1,5-hydrogen shift isomerization of the 1-butoxyl radical including all structures and torsional anharmonicity
P2860
Efficient global representations of potential energy functions: trajectory calculations of bimolecular gas-phase reactions by multiconfiguration molecular mechanics.
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2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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name
Efficient global representatio ...... iguration molecular mechanics.
@en
Efficient global representatio ...... iguration molecular mechanics.
@nl
type
label
Efficient global representatio ...... iguration molecular mechanics.
@en
Efficient global representatio ...... iguration molecular mechanics.
@nl
prefLabel
Efficient global representatio ...... iguration molecular mechanics.
@en
Efficient global representatio ...... iguration molecular mechanics.
@nl
P2860
P356
P1476
Efficient global representatio ...... iguration molecular mechanics.
@en
P2093
Oksana Tishchenko
P2860
P304
P356
10.1063/1.3042145
P407
P577
2009-01-01T00:00:00Z