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RESONANCE INTEGRALS IN SEMI-EMPIRICAL MO THEORIES
被引:29
作者
:
DEBRUIJN, S
论文数:
0
引用数:
0
h-index:
0
DEBRUIJN, S
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1978年
/ 54卷
/ 03期
关键词
:
D O I
:
10.1016/0009-2614(78)85248-8
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
学科分类号
:
070304 ;
081704 ;
摘要
:
引用
收藏
页码:399 / 406
页数:8
相关论文
共 30 条
[1]
GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
BAIRD, NC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
DEWAR, MJS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(03)
: 1262
-
&
[2]
SOME LIMITATIONS OF MINDO-3 METHOD
BANTLE, S
论文数:
0
引用数:
0
h-index:
0
BANTLE, S
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
[J].
CHEMICAL PHYSICS LETTERS,
1978,
53
(01)
: 148
-
151
[3]
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
[4]
BRUIJN SD, 1970, THEORET CHIM ACTA, V17, P293
[5]
BRUIJN SD, UNPUBLISHED
[6]
CHONG DP, 1966, MOL PHYS, V10, P67
[7]
GASEOUS IONS .3. MINDO-3 CALCULATIONS FOR REARRANGEMENTS OF SUBSTITUTED BENZYL CATIONS
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
LANDMAN, D
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
LANDMAN, D
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(14)
: 4633
-
4639
[8]
CONCERNING CRITICISMS OF MINDO-3 BY POPLE AND HEHRE
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(22)
: 6591
-
6591
[9]
DEWAR MJS, 1969, MOLECULAR ORBITAL TH
[10]
DITS H, 1977, CHEM PHYS LETT, V51, P95, DOI 10.1016/0009-2614(77)85363-3
←
1
2
3
→
共 30 条
[1]
GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
BAIRD, NC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
DEWAR, MJS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(03)
: 1262
-
&
[2]
SOME LIMITATIONS OF MINDO-3 METHOD
BANTLE, S
论文数:
0
引用数:
0
h-index:
0
BANTLE, S
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
[J].
CHEMICAL PHYSICS LETTERS,
1978,
53
(01)
: 148
-
151
[3]
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
[4]
BRUIJN SD, 1970, THEORET CHIM ACTA, V17, P293
[5]
BRUIJN SD, UNPUBLISHED
[6]
CHONG DP, 1966, MOL PHYS, V10, P67
[7]
GASEOUS IONS .3. MINDO-3 CALCULATIONS FOR REARRANGEMENTS OF SUBSTITUTED BENZYL CATIONS
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
LANDMAN, D
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
LANDMAN, D
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(14)
: 4633
-
4639
[8]
CONCERNING CRITICISMS OF MINDO-3 BY POPLE AND HEHRE
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(22)
: 6591
-
6591
[9]
DEWAR MJS, 1969, MOLECULAR ORBITAL TH
[10]
DITS H, 1977, CHEM PHYS LETT, V51, P95, DOI 10.1016/0009-2614(77)85363-3
←
1
2
3
→