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GROUND STATES OF SIGMA-BONDED MOLECULES .14. APPLICATION OF ENERGY PARTITIONING TO MINDO/2 METHOD AND A STUDY OF COPE REARRANGEMENT
被引:241
作者
:
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
LO, DH
机构
:
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1971年
/ 93卷
/ 26期
关键词
:
D O I
:
10.1021/ja00755a014
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:7201 / &
相关论文
共 31 条
[11]
DEWAR MJS, 1969, MOLECULAR ORBITAL TH
[12]
DEWAR MJS, IN PRESS
[13]
DOERING WVE, 1967, TETRAHEDRON, V23, P3943
[14]
ON ENERGY LOCALIZATION OF APPROXIMATE MOLECULAR ORBITALS
ENGLAND, W
论文数:
0
引用数:
0
h-index:
0
ENGLAND, W
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(24)
: 6864
-
&
[15]
ENERGY PARTITIONING WITH CNDO METHOD
FISCHER, H
论文数:
0
引用数:
0
h-index:
0
FISCHER, H
KOLLMAR, H
论文数:
0
引用数:
0
h-index:
0
KOLLMAR, H
[J].
THEORETICA CHIMICA ACTA,
1970,
16
(03):
: 163
-
&
[16]
INTERACTION OF ORBITALS THROUGH SPACE AND THROUGH BONDS
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1971,
4
(01)
: 1
-
&
[17]
LAMBERT JB, 1963, TETRAHEDRON LETT, P1901
[18]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY OF NUCLEAR SPIN COUPLING .1. DIRECTLY BONDED CARBON-HYDROGEN COUPLING CONSTANTS
MACIEL, GE
论文数:
0
引用数:
0
h-index:
0
MACIEL, GE
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
MCIVER, JW
OSTLUND, NS
论文数:
0
引用数:
0
h-index:
0
OSTLUND, NS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(01)
: 1
-
&
[19]
A SIMPLEX-METHOD FOR FUNCTION MINIMIZATION
NELDER, JA
论文数:
0
引用数:
0
h-index:
0
NELDER, JA
MEAD, R
论文数:
0
引用数:
0
h-index:
0
MEAD, R
[J].
COMPUTER JOURNAL,
1965,
7
(04)
: 308
-
313
[20]
FURTHER STUDY OF UMBRELLA VS BRIDGED GEOMETRIES - SCF-MO AND CI CALCULATIONS FOR C2H6++ AND AMMONIA BORANE
PEYERIMO.SD
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Theoretische Physik, Justus Liebig Universität, 63 Giessen, Lahn
PEYERIMO.SD
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Theoretische Physik, Justus Liebig Universität, 63 Giessen, Lahn
BUENKER, RJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(01)
: 312
-
&
←
1
2
3
4
→
共 31 条
[11]
DEWAR MJS, 1969, MOLECULAR ORBITAL TH
[12]
DEWAR MJS, IN PRESS
[13]
DOERING WVE, 1967, TETRAHEDRON, V23, P3943
[14]
ON ENERGY LOCALIZATION OF APPROXIMATE MOLECULAR ORBITALS
ENGLAND, W
论文数:
0
引用数:
0
h-index:
0
ENGLAND, W
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(24)
: 6864
-
&
[15]
ENERGY PARTITIONING WITH CNDO METHOD
FISCHER, H
论文数:
0
引用数:
0
h-index:
0
FISCHER, H
KOLLMAR, H
论文数:
0
引用数:
0
h-index:
0
KOLLMAR, H
[J].
THEORETICA CHIMICA ACTA,
1970,
16
(03):
: 163
-
&
[16]
INTERACTION OF ORBITALS THROUGH SPACE AND THROUGH BONDS
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1971,
4
(01)
: 1
-
&
[17]
LAMBERT JB, 1963, TETRAHEDRON LETT, P1901
[18]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY OF NUCLEAR SPIN COUPLING .1. DIRECTLY BONDED CARBON-HYDROGEN COUPLING CONSTANTS
MACIEL, GE
论文数:
0
引用数:
0
h-index:
0
MACIEL, GE
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
MCIVER, JW
OSTLUND, NS
论文数:
0
引用数:
0
h-index:
0
OSTLUND, NS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(01)
: 1
-
&
[19]
A SIMPLEX-METHOD FOR FUNCTION MINIMIZATION
NELDER, JA
论文数:
0
引用数:
0
h-index:
0
NELDER, JA
MEAD, R
论文数:
0
引用数:
0
h-index:
0
MEAD, R
[J].
COMPUTER JOURNAL,
1965,
7
(04)
: 308
-
313
[20]
FURTHER STUDY OF UMBRELLA VS BRIDGED GEOMETRIES - SCF-MO AND CI CALCULATIONS FOR C2H6++ AND AMMONIA BORANE
PEYERIMO.SD
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Theoretische Physik, Justus Liebig Universität, 63 Giessen, Lahn
PEYERIMO.SD
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Theoretische Physik, Justus Liebig Universität, 63 Giessen, Lahn
BUENKER, RJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(01)
: 312
-
&
←
1
2
3
4
→