A REEXAMINATION OF THE OXYGEN PARAMETERS IN THE CNDO-S METHOD - APPLICATION TO UV AND PHOTOELECTRON-SPECTRA OF PARA-BENZOQUINONE

被引：71

作者：

JACQUES, P

FAURE, J

CHALVET, O

JAFFE, HH

机构：

[1] ECOLE NATL SUPER CHIM,PHOTOCHIM GEN LAB CNRS,EQUIPE RECH,F-68093 MULHOUSE,FRANCE

[2] CNRS LAB,CTR MECAN ONDULATOIRE APPL,F-75019 PARIS,FRANCE

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1981年 / 85卷 / 05期

关键词：

D O I：

10.1021/j150605a004

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：473 / 479

页数：7

共 43 条

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[8] APPLICATIONS OF PHOTOELECTRON SPECTROSCOPY .37. PI-ORBITAL ENERGIES OF ACENES
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[9] THEORY OF SOLVENT EFFECTS - VIRTUAL CHARGE MODEL TO REPRESENT SOLVENT POLARIZATION
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[J]. THEORETICA CHIMICA ACTA, 1978, 48 (01): : 75 - 86
[10] DELBENE J, 1968, J CHEM PHYS, V48, P4050

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