MOLECULAR ELECTROSTATIC POTENTIALS OBTAINED FROM CNDO WAVE-FUNCTIONS

被引：53

作者：

GIESSNERPRETTRE, C ^{[1
]}

PULLMAN, A ^{[1
]}

机构：

[1] INST BIOL PHYS CHIM,CNRS,LAB BIOCHEM THEORIQUE,F-75005 PARIS,FRANCE

来源：

THEORETICA CHIMICA ACTA | 1975年 / 37卷 / 04期

关键词：

D O I：

10.1007/BF01028402

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：335 / 339

页数：5

共 16 条

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[2] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2
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[3] N- VERSUS O-PROTON AFFINITIES OF AMIDE GROUP - AB-INITIO ELECTROSTATIC MOLECULAR POTENTIALS
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[4] MOLECULAR ELECTROSTATIC POTENTIALS FOR NUCLEIC-ACID BASES - ADENINE, THYMINE, AND CYTOSINE
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[5] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - CIS AND TRANS DIAZIRIDINE, OXAZIRIDINE AND CORRESPONDING IMMINIUM IONS
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[6] BONACCORSI R, 1970, QUANTUM ASPECTS HETE, P18
[7] BONACCORSI R, 1975, THEOR CHIM ACTA, V36, P339
[8] CABALLOL DT, 1974, CHEM PHYS LETT, V25, P89
[9] MODEL POTENTIAL-ENERGY SURFACES FOR APPROACH OF AN ELECTROPHILE TO ACETYLENE AND FLUOROACETYLENE
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[J]. TETRAHEDRON, 1973, 29 (13) : 1887 - 1889
[10] MO-SCF-LCAO STUDIES OF SULFUR-COMPOUNDS .3. THIOPHENE
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