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5. Ab initio potential energy surface and rovibrational spectra of the H2-HCCCN complex

Ab initio potential energy surface and rovibrational spectra of the H2-HCCCN complex

来源 :第十五届全国化学动力学会议 | 被引量 : 0次 | 上传用户：boblllll

【摘 要】

：

　　The spectra of the van der Waals(vdW)complexes provide useful information on the intermolecular potential energy surfaces(PESs)and dynamics of such weakly b

【作 者】

：

Hua Zhu 

【机 构】

：

SchoolofChemistry,SichuanUniversity,Chengdu,610064,China

【出 处】

：

第十五届全国化学动力学会议

【发表日期】

：

2017年8期

【关键词】

：

H2-HCCCN complex rovibrational spectra potential energy surface 

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　　The spectra of the van der Waals(vdW)complexes provide useful information on the intermolecular potential energy surfaces(PESs)and dynamics of such weakly bound molecules.We report a new intermolecular potential energy surface of the H2–HCCCN complex.

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