Structures, relative stability and dissociation of [Si,N,C,O]2+isomers

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：johnsontai1230

【摘要】

：

Fifteen isomers of [Si,N,C,O]2+ system are obtained at UB3LYP/6-311G(d) and UCCSD(T)/6-311+G(2df) (single-point) levels. The analyses are made for predicting th

【作者】

：

CHI Yujuan(池玉娟) YU Haitao(于海涛)

【机构】

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CollegeofChemistryandChemicalEngineering,StateKeyLaboratoryofTheoreticalandComputationalChemistry,St

【出处】

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中国科学：化学英文版

【发表日期】

：

2002年6期

【关键词】

：

[Si N C O]2+ system isomerization stability dissociation. [Si N C O]2+ system

【基金项目】

：

This work was supported by the National Natural Science Foundation of China (Grant Nos. 20171015, 20171016), Science Foundation for Excellent Youths of Heilongjiang University (2002), and the Natural

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Fifteen isomers of [Si,N,C,O]2+ system are obtained at UB3LYP/6-311G(d) and UCCSD(T)/6-311+G(2df) (single-point) levels. The analyses are made for predicting the structures of optimized isomers, while ionic fragments with lower energies are suggested. The

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Structures, relative stability and dissociation of [Si,N,C,O]2+isomers

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