A New Algorithm for Efficient Direct Dynamics Calculations of Large-Curvature Tunneling and Its Application to Radical Reactions with 9-15 Atoms.
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Enzymatic catalysis and transfers in solution. I. Theory and computations, a unified view.Impact of tunneling on hydrogen-migration of the n-propylperoxy radical.Kinetics for the hydrogen-abstraction of CH4 with NO2.Variational transition state theory: theoretical framework and recent developments.High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomi
P2860
A New Algorithm for Efficient Direct Dynamics Calculations of Large-Curvature Tunneling and Its Application to Radical Reactions with 9-15 Atoms.
description
2005 nî lūn-bûn
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2005年の論文
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2005年学术文章
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2005年学术文章
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2005年学术文章
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2005年学术文章
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name
A New Algorithm for Efficient ...... cal Reactions with 9-15 Atoms.
@en
A New Algorithm for Efficient ...... cal Reactions with 9-15 Atoms.
@nl
type
label
A New Algorithm for Efficient ...... cal Reactions with 9-15 Atoms.
@en
A New Algorithm for Efficient ...... cal Reactions with 9-15 Atoms.
@nl
prefLabel
A New Algorithm for Efficient ...... cal Reactions with 9-15 Atoms.
@en
A New Algorithm for Efficient ...... cal Reactions with 9-15 Atoms.
@nl
P356
P1476
A New Algorithm for Efficient ...... cal Reactions with 9-15 Atoms.
@en
P2093
Antonio Fernández-Ramos
P304
P356
10.1021/CT050153I
P577
2005-11-01T00:00:00Z