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Molecular Reaction Dynamics by Theory

简介 Dynamics/Spectroscopy/Kinetics/Mechanisms

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Kinetic and dynamic studies of the Cl(2Pu) + H2O(X̃1A1) → HCl(X̃1Σ+) + OH(X̃2Π) reaction on an ab initio based full-dimensional global potential energy surface of the ground electronic state of ClH2O

2013
期刊 The Journal of Chemical Physics