NON-ADDITIVE EFFECTS OF POLYSUBSTITUTION IN CH4 AND CH3 - A TEST OF ABINITIO AND SEMIEMPIRICAL MO METHODS

被引：31
作者：
BAIRD, NC
机构：
来源：
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1983年 / 61卷 / 07期
关键词：
D O I：
10.1139/v83-272
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：1567 / 1572
页数：6
相关论文
共 32 条
[1]   VERY-LOW-PRESSURE STUDY OF THE KINETICS AND EQUILIBRIUM - CL + CH4 REVERSIBLE CH3 + HCL AT 298 K - HEAT OF FORMATION OF THE CH3 RADICAL [J].
BAGHALVAYJOOEE, MH ;
COLUSSI, AJ ;
BENSON, SW .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1979, 11 (02) :147-154
[2]   THE STABILIZING EFFECT OF D-ORBITALS ON THE CENTRAL NITROGEN ATOM IN NITROGEN-OXYGEN MOLECULES AND IONS [J].
BAIRD, NC ;
TAYLOR, KF .
CHEMICAL PHYSICS LETTERS, 1981, 80 (01) :83-86
[3]  
Benson S.W., 1976, THERMOCHEMICAL KINET, Vsecond
[4]   STRUCTURE OF FLUOROMETHYL RADICALS - CONJUGATIVE AND INDUCTIVE EFFECTS [J].
BERNARDI, F ;
CHERRY, W ;
SHAIK, S ;
EPIOTIS, ND .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (05) :1352-1356
[5]   GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1307-1311
[6]   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
[7]  
BINKLEY JS, 1978, QCPE, V11, P368
[8]   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
[9]  
COX JD, 1970, THERMOCHEMISTRY ORGA
[10]  
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
1234