The importance of an accurate CH_4 vibrational partition function in full dimensionality calculations of the H+CH_4- H_2+CH_3 reaction

Joel M.Bowman; Dunyou Wang; Xinchuan Huang; Fermin Huarte-larranaga; U.Manthe

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The importance of an accurate CH_4 vibrational partition function in full dimensionality calculations of the H+CH_4- H_2+CH_3 reaction

机译：精确的CH_4振动分配函数在H + CH_4-> H_2 + CH_3反应的全维计算中的重要性

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《The Journal of Chemical Physics》 |2001年第21期|共2页
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Joel M.Bowman; Dunyou Wang; Xinchuan Huang; Fermin Huarte-larranaga; U.Manthe;
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1. The importance of an accurate CH_4 vibrational partition function in full dimensionality calculations of the H+CH_4- H_2+CH_3 reaction [J] . Joel M.Bowman, Dunyou Wang, Xinchuan Huang, The Journal of Chemical Physics . 2001,第21期

机译：精确的CH_4振动分配函数在H + CH_4-> H_2 + CH_3反应的全维计算中的重要性
2. Path integral calculation of thermal rate constants within the quantum instanton approximation:Application to the H+CH_4- H_2+CH_3 hydrogen abstraction reaction in full cartesian space [J] . Yi Zhao, Takeshi Yamamoto, William H.Miller The Journal of Chemical Physics . 2004,第7期

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3. Quantum dynamics of the H+CH_4→H_2+CH_3 reaction in curvilinear coordinates: Full-dimensional and reduced dimensional calculations of reaction rates [J] . Gerd Schiffel, Uwe Manthe The Journal of Chemical Physics . 2010,第8期

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The importance of an accurate CH_4 vibrational partition function in full dimensionality calculations of the H+CH_4- H_2+CH_3 reaction

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