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

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

【摘要】

：

Nine isomers, twenty transition states, and some relative dissociation fragments of [C,N,N,P] system were located at the B3LYP/6-311G(d) and QCISD(t)/6-311+G(2d

【作者】

：

KAN Wei ZHONG Hua YU Haitao FU

【机构】

：

SchoolofChemistryandMaterialsScience,SchoolofChemistryandChemicalEngineering,StateKeyLaboratoryofThe

【出处】

：

中国科学：化学英文版

【发表日期】

：

2005年5期

【关键词】

：

potential energy surface [C N N P] system isomerization kinetic stability. po

【基金项目】

：

国家自然科学基金

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Nine isomers, twenty transition states, and some relative dissociation fragments of [C,N,N,P] system were located at the B3LYP/6-311G(d) and QCISD(t)/6-311+G(2df) (single-point) levels of theory, and the isomerization, structures, and stability of these o

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

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