| CO
product distribution in the unimolecular dissociation of HCO |
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| 作者姓名： | 郭锐 赵新生 |
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| 作者单位： | State Key Laboratory of Molecular Dynamic and Stable Structures，and Institute of Physical Chemistry，Peking University，Beijing 100871，China，State Key Laboratory of Molecular Dynamic and Stable Structures，and Institute of Physical Chemistry，Peking University，Beijing 100871，China |
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| 摘 要： | The unimolecular dissociation of HCO ground state was investigated with the time-dependent full-quantum symplectic propagation based on the newest potential energy surface of the system. Calculated energy and widths of HCO resonance states agree well with those in the literature. CO product distribution was systematically investigated. A simple model was presented to interpret the rovibrational distributions in HCO dissociation.
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CO product distribution in the unimolecular dissociation of HCO |
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| GUO Rui,ZHAO Xinsheng.CO
product distribution in the unimolecular dissociation of HCO[J].Science in China(Chemistry),2000,43(5):449-458. |
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| Authors: | GUO Rui ZHAO Xinsheng |
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| Institution: | State Key Laboratory of Molecular Dynamic and Stable Structures, and Institute of Physical Chemistry, Peking University, Beijing 100871, China |
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| Abstract: | The unimolecular dissociation of HCO ground state was investigated with the time-dependent full-quantum symplectic propagation based on the newest potential energy surface of the system. Calculated energy and widths of HCO resonance states agree well with those in the literature. CO product distribution was systematically investigated. A simple model was presented to interpret the rovibrational distributions in HCO dissociation. |
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| Keywords: | unimolecular dissociation HCO time-dependent symplectic method resonance state product distribution |
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