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STRUCTURE OF TRANSITION-STATES IN ORGANIC REACTIONS - GENERAL THEORY AND AN APPLICATION TO CYCLOBUTENE-BUTADIENE ISOMERIZATION USING A SEMIEMPIRICAL MOLECULAR-ORBITAL METHOD
被引:1022
作者
:
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
MCIVER, JW
KOMORNIC.A
论文数:
0
引用数:
0
h-index:
0
KOMORNIC.A
机构
:
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1972年
/ 94卷
/ 08期
关键词
:
D O I
:
10.1021/ja00763a011
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:2625 / &
相关论文
共 36 条
[21]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS
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HEHRE, WJ
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HEHRE, WJ
CURTISS, LA
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CURTISS, LA
POPLE, JA
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0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
: 6377
-
+
[22]
RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR ORBITAL METHODS
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
MCIVER, JW
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
KOMORNICKI, A
[J].
CHEMICAL PHYSICS LETTERS,
1971,
10
(03)
: 303
-
+
[23]
MCIVER JW, TO BE PUBLISHED
[24]
MEANING AND USE OF ARRHENIUS ACTIVATION ENERGY
MENZINGER, M
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Yale University, New Haven, Connecticut
MENZINGER, M
WOLFGANG, R
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Yale University, New Haven, Connecticut
WOLFGANG, R
[J].
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,
1969,
8
(06)
: 438
-
+
[25]
SYMMETRIES OF ACTIVATED COMPLEXES
MURRELL, JN
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0
引用数:
0
h-index:
0
MURRELL, JN
LAIDLER, KJ
论文数:
0
引用数:
0
h-index:
0
LAIDLER, KJ
[J].
TRANSACTIONS OF THE FARADAY SOCIETY,
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64
(542P):
: 371
-
&
[26]
SELF-CONSISTENT PERTURBATION THEORY .I. FINITEPERTURBATION METHODS
POPLE, JA
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0
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机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
MCIVER, JW
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引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
MCIVER, JW
OSTLUND, NS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
OSTLUND, NS
[J].
JOURNAL OF CHEMICAL PHYSICS,
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49
(07)
: 2960
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+
[27]
POPLE JA, IN PRESS
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A METHOD FOR MINIMIZING A SUM OF SQUARES OF NON-LINEAR FUNCTIONS WITHOUT CALCULATING DERIVATIVES
POWELL, MJD
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POWELL, MJD
[J].
COMPUTER JOURNAL,
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: 303
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[29]
EFFECTS OF SURFACE CROSSING IN CHEMICAL REACTIONS - H3+ SYSTEM
PRESTON, RK
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0
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PRESTON, RK
TULLY, JC
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引用数:
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TULLY, JC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(10)
: 4297
-
&
[30]
FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .6. DOUBLE-GAUSSIAN MODIFICATION
ROUSE, RA
论文数:
0
引用数:
0
h-index:
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机构:
Department of Chemistry, Northwestern University, Evanston
ROUSE, RA
FROST, AA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Northwestern University, Evanston
FROST, AA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(04)
: 1705
-
&
←
1
2
3
4
→
共 36 条
[21]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
: 6377
-
+
[22]
RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR ORBITAL METHODS
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
MCIVER, JW
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
KOMORNICKI, A
[J].
CHEMICAL PHYSICS LETTERS,
1971,
10
(03)
: 303
-
+
[23]
MCIVER JW, TO BE PUBLISHED
[24]
MEANING AND USE OF ARRHENIUS ACTIVATION ENERGY
MENZINGER, M
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Yale University, New Haven, Connecticut
MENZINGER, M
WOLFGANG, R
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Yale University, New Haven, Connecticut
WOLFGANG, R
[J].
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,
1969,
8
(06)
: 438
-
+
[25]
SYMMETRIES OF ACTIVATED COMPLEXES
MURRELL, JN
论文数:
0
引用数:
0
h-index:
0
MURRELL, JN
LAIDLER, KJ
论文数:
0
引用数:
0
h-index:
0
LAIDLER, KJ
[J].
TRANSACTIONS OF THE FARADAY SOCIETY,
1968,
64
(542P):
: 371
-
&
[26]
SELF-CONSISTENT PERTURBATION THEORY .I. FINITEPERTURBATION METHODS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
MCIVER, JW
OSTLUND, NS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
OSTLUND, NS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(07)
: 2960
-
+
[27]
POPLE JA, IN PRESS
[28]
A METHOD FOR MINIMIZING A SUM OF SQUARES OF NON-LINEAR FUNCTIONS WITHOUT CALCULATING DERIVATIVES
POWELL, MJD
论文数:
0
引用数:
0
h-index:
0
POWELL, MJD
[J].
COMPUTER JOURNAL,
1965,
7
(04)
: 303
-
307
[29]
EFFECTS OF SURFACE CROSSING IN CHEMICAL REACTIONS - H3+ SYSTEM
PRESTON, RK
论文数:
0
引用数:
0
h-index:
0
PRESTON, RK
TULLY, JC
论文数:
0
引用数:
0
h-index:
0
TULLY, JC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(10)
: 4297
-
&
[30]
FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .6. DOUBLE-GAUSSIAN MODIFICATION
ROUSE, RA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Northwestern University, Evanston
ROUSE, RA
FROST, AA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Northwestern University, Evanston
FROST, AA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(04)
: 1705
-
&
←
1
2
3
4
→