Photodissociation Dynamics of CH3C(O)SH in Argon Matrix A Full-Dimensional QMMM Nonadiabatic Dynamic

来源 :第14届全国化学动力学会议 | 被引量 : 0次 | 上传用户：vlon126

【摘要】

：

Photodissociation dynamics of asymmetrically substituted carbonyl compounds has been extensively explored experimentally and theoretically [1-2];however,ab init

【作者】

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Ganglong Cui Shu-Hua Xia Wei-Hai Fang

【机构】

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ChemistryCollege,BeijingNormalUniversity,Beijing100875,China

【出处】

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第14届全国化学动力学会议

【发表日期】

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2015年8期

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Photodissociation dynamics of asymmetrically substituted carbonyl compounds has been extensively explored experimentally and theoretically [1-2];however,ab initio full-dimensional nonadiabatic dynamics simulations that treat both internal conversion and intersystem crossing on an equal footing are not reported until now,especially in argon matrix.

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Photodissociation Dynamics of CH3C(O)SH in Argon Matrix A Full-Dimensional QMMM Nonadiabatic Dynamic

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