ABINITIO STUDY OF THE INSERTIONS OF METHYLENE AND SILYLENE INTO METHANE, SILANE, AND HYDROGEN

被引：111

作者：

GORDON, MS ^{[1
]}

GANO, DR ^{[1
]}

机构：

[1] MINOT STATE COLL, DEPT CHEM, MINOT, ND 58701 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1984年 / 106卷 / 19期

关键词：

D O I：

10.1021/ja00331a007

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5421 / 5425

页数：5

共 30 条

[1] CONCERTED NON-LEAST-MOTION PATHWAY FOR SINGLET METHYLENE INSERTION REACTION CH2(1A1)+H2-]CH4 [J].

BAUSCHLICHER, CW ;

HABER, K ;

SCHAEFER, HF ;

BENDER, CF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (11) :3610-3614

[2] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[3] 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

[4]

DAVIDSON IMT, 1980, J CHEM SOC CHEM COMM, P659

[5]

DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013

[6] POTENTIAL SURFACE FOR INSERTION OF SINGLET METHYLENE INTO A CARBON-HYDROGEN BOND [J].

DOBSON, RC ;

HAYES, DM ;

HOFFMANN, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (23) :6188-&

[7]

Dupuis M., 1980, NRCC SOFTWARE CATALO, V1

[8] CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE [J].

FOSTER, JM ;

BOYS, SF .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :300-302

[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].

FRANCL, MM ;

PIETRO, WJ ;

HEHRE, WJ ;

BINKLEY, JS ;

GORDON, MS ;

DEFREES, DJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665

[10] A FORMULATION OF REACTION COORDINATE [J].

FUKUI, K .

JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (23) :4161-&

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