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

被引：777

作者：

BINGHAM, RC ^{[1
]}

DEWAR, MJS ^{[1
]}

LO, DH ^{[1
]}

机构：

[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1975年 / 97卷 / 06期

关键词：

D O I：

10.1021/ja00839a002

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1294 / 1301

页数：8

共 17 条

[1] GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS [J].

BAIRD, NC ;

DEWAR, MJS .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1262-&

[2] GROUND-STATES OF SIGMA-BONDED MOLECULES .18. IMPROVED VERSION OF MINDO/2 AND ITS APPLICATION TO CARBONIUM-IONS AND PROTONATED CYCLOPROPANES [J].

BODOR, N ;

LO, DH ;

DEWAR, MJS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (15) :5303-&

[3] MINDO/2 STUDY OF COPE REARRANGEMENT [J].

BROWN, A ;

DEWAR, MJS ;

SCHOELLER, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (18) :5516-+

[4] TRIMETHYLENEMETHANE AND METHYLENECYCLOPROPANE REARRANGEMENT [J].

DEWAR, MJS ;

WASSON, JS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (12) :3081-&

[5] CALCULATED AND OBSERVED IONIZATION POTENTIALS OF UNSATURATED POLYCYCLIC HYDROCARBONS - CALCULATED HEATS OF FORMATION BY SEVERAL SEMIEMPIRICAL S.C.F. M.O. METHODS [J].

DEWAR, MJS ;

HASELBAC.E ;

WORLEY, SD .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 315 (1523) :431-&

[6] GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD [J].

DEWAR, MJS ;

HASELBAC.E .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) :590-+

[7] GROUND STATES OF CONJUGATED MOLECULES .16. TREATMENT OF HYDROCARBONS BY L.C.A.O. S.C.F. M.O. [J].

DEWAR, MJS ;

HARGET, AJ .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 315 (1523) :443-&

[8]

DOERING WVE, 1962, TETRAHEDRON, V18, P67

[9] BOAT AND CHAIR TRANSITION-STATES OF 1,5-HEXADIENE [J].

GOLDSTEIN, MJ ;

BENZON, MS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (20) :7147-+

[10] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .5. MOLECULAR THEORY OF BOND SEPARATION [J].

HEHRE, WJ ;

DITCHFIELD, R ;

RADOM, L ;

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (16) :4796-+

← 1 2 →