AB-INITIO SCF MOLECULAR-ORBITAL STUDY OF ACETYLCHOLINE

被引：41

作者：

PULLMAN, A ^{[1
]}

PORT, GNJ ^{[1
]}

机构：

[1] CNRS,INST BIOL PHYS CHIM,LAB BIOCHIM THEORIQUE,13 RUE P & M CURIE,F-75 PARIS 5,FRANCE

来源：

THEORETICA CHIMICA ACTA | 1973年 / 32卷 / 01期

关键词：

D O I：

10.1007/BF01209418

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：77 / 79

页数：3

共 11 条

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RADNA, RJ .

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[3] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - ELECTRONIC AND GEOMETRIC CHARACTERIZATION OF ACETYLCHOLINE [J].

GENSON, DW ;

CHRISTOFFERSEN, RE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (02) :362-368

[4] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .3. AB-INITIO STUDIES OF CHARGE DISTRIBUTION USING A MINIMAL SLATER-TYPE BASIS [J].

HEHRE, WJ ;

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (08) :2191-+

[5]

HEHRE WJ, TO BE PUBLISHED

[6] CRYSTAL STRUCTURE OF ACETYLCHOLINE CHLORIDE - A NEW CONFORMATION FOR ACETYLCHOLINE [J].

HERDKLOTZ, JK ;

SASS, RL .

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 1970, 40 (03) :583-+

[7]

PULLMAN B, 1972, MOL PHARMACOL, V8, P612

[8]

PULLMAN B, 1971, MOL PHARMACOL, V7, P397

[9]

PULLMAN B, 1973, 5TH JER S QUAN CHEM, P547

[10] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .4. INTERNAL ROTATION IN HYDROCARBONS USING A MINIMAL SLATER-TYPE BASIS [J].

RADOM, L ;

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (16) :4786-&

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