PROTONATION OF 3-MEMBERED RING MOLECULES - AB-INITIO SCF VERSUS ELECTROSTATIC PICTURE OF PROTON APPROACH

被引：61

作者：

GHIO, C ^{[1
]}

TOMASI, J ^{[1
]}

机构：

[1] CNR,LAB CHIM QUANT & ENERGETICA MOLEC,56100 PISA,ITALY

来源：

THEORETICA CHIMICA ACTA | 1973年 / 30卷 / 02期

关键词：

D O I：

10.1007/BF01209762

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：151 / 158

页数：8

共 32 条

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[3] MOLECULAR ELECTROSTATIC POTENTIALS FOR NUCLEIC-ACID BASES - ADENINE, THYMINE, AND CYTOSINE [J].

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SCROCCO, E ;

PULLMAN, A .

THEORETICA CHIMICA ACTA, 1972, 24 (01) :51-+

[4] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - CIS AND TRANS DIAZIRIDINE, OXAZIRIDINE AND CORRESPONDING IMMINIUM IONS [J].

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[5]

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[6] THEORETICAL STUDY OF GEOMETRY REACTIVITY AND SPECTRUM OF CYCLOPROPANE [J].

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[7] NON EMPIRICAL LCAO-MO-SCF CALCULATIONS WITH GAUSSIAN TYPE FUNCTIONS ON SOME 3 MEMBERED RING HETEROCYCLES .2. ENERGIES AND POPULATION ANALYSIS [J].

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[8]

CLARK DT, 1970, QUANTUM ASPECTS HETE, V2

[9]

CLEMENTI E, 1969, IBM TECHNICAL REPORT

[10]

FRANCHINI PF, 1971, THEOR CHIM ACTA, V21, P90, DOI 10.1007/BF00529092

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