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NON-ADDITIVE EFFECTS OF POLYSUBSTITUTION IN CH4 AND CH3 - A TEST OF ABINITIO AND SEMIEMPIRICAL MO METHODS
被引:31
作者
:
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
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
BAGHALVAYJOOEE, MH
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Hydrocarbon Chemistry, Department of Chemistry, University of Southern California, Los Angeles, California
BAGHALVAYJOOEE, MH
COLUSSI, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Hydrocarbon Chemistry, Department of Chemistry, University of Southern California, Los Angeles, California
COLUSSI, AJ
BENSON, SW
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Hydrocarbon Chemistry, Department of Chemistry, University of Southern California, Los Angeles, California
BENSON, SW
[J].
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
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
BAIRD, NC
TAYLOR, KF
论文数:
0
引用数:
0
h-index:
0
TAYLOR, KF
[J].
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
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
BERNARDI, F
CHERRY, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
CHERRY, W
SHAIK, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
SHAIK, S
EPIOTIS, ND
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
EPIOTIS, ND
[J].
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
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
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0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
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
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
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
COLLINS, JB
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引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
COLLINS, JB
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
[J].
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
←
1
2
3
4
→
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
BAGHALVAYJOOEE, MH
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Hydrocarbon Chemistry, Department of Chemistry, University of Southern California, Los Angeles, California
BAGHALVAYJOOEE, MH
COLUSSI, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Hydrocarbon Chemistry, Department of Chemistry, University of Southern California, Los Angeles, California
COLUSSI, AJ
BENSON, SW
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Hydrocarbon Chemistry, Department of Chemistry, University of Southern California, Los Angeles, California
BENSON, SW
[J].
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
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
BAIRD, NC
TAYLOR, KF
论文数:
0
引用数:
0
h-index:
0
TAYLOR, KF
[J].
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
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
BERNARDI, F
CHERRY, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
CHERRY, W
SHAIK, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
SHAIK, S
EPIOTIS, ND
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
EPIOTIS, ND
[J].
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
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
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
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
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
COLLINS, JB
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
COLLINS, JB
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
[J].
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
←
1
2
3
4
→