Ab initio and direct quasiclassical-trajectory study of the Cl + CH4-->HCl + CH3 reaction.
about
Theoretical study of the dynamics of F+alkanethiol self-assembled monolayer hydrogen-abstraction reactions.Reduced dimensionality spin-orbit dynamics of CH3 + HCl ⇌ CH4 + Cl on ab initio surfaces.Theoretical study of the dynamics of the H+CH4 and H+C2H6 reactions using a specific-reaction-parameter semiempirical Hamiltonian.An eight-dimensional quantum dynamics study of the Cl + CH4→ HCl + CH3 reaction.Accurate ab initio potential energy surface, thermochemistry, and dynamics of the Cl(2P, 2P(3/2) + CH4 → HCl + CH3 and H + CH3Cl reactions.Direct dynamics simulations using Hessian-based predictor-corrector integration algorithms.
P2860
Ab initio and direct quasiclassical-trajectory study of the Cl + CH4-->HCl + CH3 reaction.
description
2006 nî lūn-bûn
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2006年の論文
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2006年学术文章
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name
Ab initio and direct quasiclas ...... Cl + CH4-->HCl + CH3 reaction.
@en
Ab initio and direct quasiclas ...... Cl + CH4-->HCl + CH3 reaction.
@nl
type
label
Ab initio and direct quasiclas ...... Cl + CH4-->HCl + CH3 reaction.
@en
Ab initio and direct quasiclas ...... Cl + CH4-->HCl + CH3 reaction.
@nl
prefLabel
Ab initio and direct quasiclas ...... Cl + CH4-->HCl + CH3 reaction.
@en
Ab initio and direct quasiclas ...... Cl + CH4-->HCl + CH3 reaction.
@nl
P2860
P356
P1476
Ab initio and direct quasiclas ...... Cl + CH4-->HCl + CH3 reaction.
@en
P2093
Diego Troya
Paula J E Weiss
P2860
P356
10.1063/1.2171689
P407
P577
2006-02-01T00:00:00Z