TOWARDS A MOLECULAR-ORBITAL METHOD FOR CONFORMATIONAL-ANALYSIS OF VERY LARGE BIOMOLECULES

被引：19

作者：

NARAYSZABO, G ^{[1
]}

机构：

[1] CHINOIN PHARMACEUT & CHEM WORKS,BUDAPEST,HUNGARY

来源：

ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE | 1976年 / 40卷 / 04期

关键词：

D O I：

10.1007/BF03157503

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：261 / 273

页数：13

共 36 条

[11] NO N4-DEPENDENCE IN CALCULATION OF LARGE MOLECULES [J].

DYCZMONS, V .

THEORETICA CHIMICA ACTA, 1973, 28 (03) :307-310

[12] LOCALIZED ATOMIC AND MOLECULAR ORBITALS . 2 [J].

EDMISTON, C ;

RUEDENBERG, K .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S097-+

[13] SIMULATED AB-INITIO MOLECULAR-ORBITAL TECHNIQUE .1. METHOD [J].

EILERS, JE ;

WHITMAN, DR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (07) :2067-2073

[14] LOCALIZED CHARGE DISTRIBUTIONS .2. INTERPRETATION OF BARRIERS TO INTERNAL-ROTATION IN H2O2 [J].

ENGLAND, W ;

GORDON, MS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (14) :4818-+

[15] FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .I. COMPUTATIONAL PROCEDURE . LIH AS AN EXAMPLE [J].

FROST, AA .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) :3707-&

[16] LOCALIZED CHARGE DISTRIBUTIONS .5. INTERNAL-ROTATION BARRIERS IN METHYLAMINE, METHYL-ALCOHOL, PROPENE, AND ACETALDEHYDE [J].

GORDON, MS ;

ENGLAND, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (06) :1753-1760

[17] APPLICATION OF QUANTUM CHEMISTRY TO DRUGS AND THEIR INTERACTIONS [J].

GREEN, JP ;

JOHNSON, CL ;

KANG, S .

ANNUAL REVIEW OF PHARMACOLOGY AND TOXICOLOGY, 1974, 14 :319-342

[18] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].

HOFFMANN, R .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&

[19]

HOFMANN HJ, 1967, CHEM PHYS LETT, V37, P608

[20] ACCURATE ELECTRONIC WAVE FUNCTIONS FOR THE H-2 MOLECULE [J].

KOLOS, W ;

ROOTHAAN, CCJ .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :219-232

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