CHEMICAL CONSEQUENCES OF ORBITAL INTERACTIONS .12. ABINITIO MOLECULAR-ORBITAL STUDY OF GEOMETRIES, PROPERTIES, AND PROTONATION OF ALKYL CHLORIDES

被引：41

作者：

JORGENSEN, WL

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 04期

关键词：

D O I：

10.1021/ja00472a006

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：1057 / 1061

页数：5

相关论文

共 36 条

[1] SIMPLE MODEL OF HYDROGEN-BONDING [J].

ALLEN, LC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (24) :6921-6940

[2] QUANTITATIVE RELATIVE GAS-PHASE BASICITIES OF ALKYLAMINES - CORRELATION WITH SOLUTION BASICITY [J].

AUE, DH ;

BOWERS, MT ;

WEBB, HM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (13) :4726-&

[3] ION CYCLOTRON RESONANCE SPECTROSCOPY [J].

BEAUCHAM.JL .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1971, 22 :527-&

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

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293

[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS [J].

COLLINS, JB ;

SCHLEYER, PV ;

BINKLEY, JS ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) :5142-5151

[6] RELATIVE GAS-PHASE ACIDITIES AND BASICITIES FROM A PROTON POTENTIAL MODEL [J].

DAVIS, DW ;

SHIRLEY, DA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (25) :7898-7903

[7] MODEL FOR PROTON AFFINITIES AND INNER-SHELL ELECTRON BINDING-ENERGIES BASED ON HELLMANN-FEYNMAN THEOREM [J].

DAVIS, DW ;

RABALAIS, JW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (17) :5305-5310

[8] MOLECULAR-ORBITAL STUDY OF PROTONATION - SUBSTITUTED CARBONYL-COMPOUNDS [J].

DELBENE, JE ;

VACCARO, A .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (24) :7526-7532

[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[10] DEFENSE OF VALENCE SHELL ELECTRON PAIR REPULSION (VSEPR) MODEL [J].

GILLESPIE, RJ .

JOURNAL OF CHEMICAL EDUCATION, 1974, 51 (06) :367-370

← 1 2 3 4 →