Electronic properties evaluation of p-phenyltiofen through the density functional theory with the use of semi-empirical geometry at level AM1

被引：0

作者：

De, Oliveira, Marcos A. ^{[1
]}

De, Almeida, Wagner B. ^{[1
]}

机构：

[1] LQC-MM, Departamento de Química, Universidade Federal de Minas Gerais, Belo Horizonte, MG 31270-901, Brazil

来源：

Ciencia and Engenharia/ Science and Engineering Journal | 2001年 / 10卷 / 02期

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摘要：

引用

页码：131 / 140

共 20 条

[1] Semi-empirical AM1 and PM3 calculations for electronic structure of a pyrazolone
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[10] Geometry optimizations and evaluation of electronic properties of prism carbon tubes by density functional theory using plane waves
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