MINDO-3 - EVALUATION OF ITS USEFULNESS AS A STRUCTURAL THEORY

被引：52

作者：

HEHRE, WJ ^{[1
]}

机构：

[1] UNIV CALIF, DEPT CHEM, IRVINE, CA 92664 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1975年 / 97卷 / 18期

关键词：

D O I：

10.1021/ja00851a063

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5308 / 5310

页数：3

共 9 条

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[2] GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE [J].

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[3] GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS [J].

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[4] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].

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[5] GROUND-STATES OF MOLECULES .29. MINDO-3 CALCULATIONS OF COMPOUNDS CONTAINING THIRD ROW ELEMENTS [J].

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[6] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS [J].

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (24) :6377-+

[7]

LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175

[8] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].

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JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S129-+

[9] SOME DEFICIENCIES OF MINDO-3 SEMIEMPIRICAL THEORY [J].

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (18) :5306-5308

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