Structures and stability of isomers of [Si,N,N,P] system

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

【摘要】

：

Some stationary points on the potential energy surface of [Si, N, N, P] system were located at the B3LYP/6-311G(d) and QCISD(t)/6-311+G(2df)(single-point) level

【作者】

：

KAN Wei YU Haitao LI Mingxia F

【机构】

：

CollegeofChemistryandChemicalEngineering,StateKeyLaboratoryofTheoreticalandComputationalChemistry,St

【出处】

：

中国科学：化学英文版

【发表日期】

：

2004年2期

【关键词】

：

potential energy surface [Si N N P] system isomerization kinetic stability. p

【基金项目】

：

This work was supported by the National Natural Science Foundation of China (Grant Nos. 20301006, 20271019) and the Science Foundation for Distinguished Young Scholar of Heilongjiang Province (2003).

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Some stationary points on the potential energy surface of [Si, N, N, P] system were located at the B3LYP/6-311G(d) and QCISD(t)/6-311+G(2df)(single-point) levels of theory, while the isomerization, structures, and stability of these obtained isomers were

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Structures and stability of isomers of [Si,N,N,P] system

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