DERIVATION OF SHAPES AND ENERGIES OF MOLECULAR-ORBITALS OF 1,3-DIPOLES - GEOMETRY OPTIMIZATIONS OF THESE SPECIES BY MINDO-2 AND MINDO-3

被引：101

作者：

CARAMELLA, P ^{[1
]}

GANDOUR, RW ^{[1
]}

HALL, JA ^{[1
]}

DEVILLE, CG ^{[1
]}

HOUK, KN ^{[1
]}

机构：

[1] LOUISIANA STATE UNIV,DEPT CHEM,BATON ROUGE,LA 70803

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1977年 / 99卷 / 02期

关键词：

D O I：

10.1021/ja00444a013

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：385 / 392

页数：8

共 26 条

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[5] GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE
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[6] GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
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[7] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
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LO, DH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1285 - 1293
[8] GROUND STATES OF SIGMA-BONDED MOLECULES .10.EXTENSION OF MINDO/2 METHOD TO COMPOUNDS CONTAINING NITROGEN AND/OR OXYGEN
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DEWAR, MJS
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[9] GEOMETRIES OF NITRILIUM BETAINES - CLARIFICATION OF APPARENTLY ANOMALOUS REACTIONS OF 1,3-DIPOLES
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HOUK, KN
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (20) : 6397 - 6399
[10] DEWAR MJS, 1973, MOLECULAR ORBITAL TH

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