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SCF LCAO MO CALCULATION FOR MNO-4
被引:53
作者
:
JOHANSEN, H
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, RES LAB, SAN JOSE, CA 95114 USA
IBM CORP, RES LAB, SAN JOSE, CA 95114 USA
JOHANSEN, H
[
1
]
机构
:
[1]
IBM CORP, RES LAB, SAN JOSE, CA 95114 USA
来源
:
CHEMICAL PHYSICS LETTERS
|
1972年
/ 17卷
/ 04期
关键词
:
D O I
:
10.1016/0009-2614(72)85108-X
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:569 / 573
页数:5
相关论文
共 30 条
[1]
TRANSITION ENERGIES OF CHROMIUM AND MANGANESE COMPLEXES
ASTIER, M
论文数:
0
引用数:
0
h-index:
0
ASTIER, M
[J].
MOLECULAR PHYSICS,
1970,
19
(02)
: 209
-
+
[2]
INTENSITIES IN INORGANIC COMPLEXES .2. TETRAHEDRAL COMPLEXES
BALLHAUSEN, CJ
论文数:
0
引用数:
0
h-index:
0
BALLHAUSEN, CJ
LIEHR, AD
论文数:
0
引用数:
0
h-index:
0
LIEHR, AD
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1958,
2
(04)
: 342
-
360
[3]
BALLHAUSEN CJ, 1960, J MOL SPECTROSC, V4, P190
[4]
BALLHAUSEN CJ, 1964, MOLECULAR ORBITAL TH
[5]
GAUSSIAN-ORBITAL BASIS SETS FOR FIRST-ROW TRANSITION-METAL ATOMS
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
BASCH, H
HORNBACK, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
HORNBACK, CJ
MOSKOWITZ, JW
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
MOSKOWITZ, JW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(04)
: 1311
-
+
[6]
Towards an adequate molecular orbital interpretation of the ultraviolet spectrum of the permanganate ion
Brown, R. D.
论文数:
0
引用数:
0
h-index:
0
机构:
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Brown, R. D.
James, B. H.
论文数:
0
引用数:
0
h-index:
0
机构:
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
James, B. H.
O'Dwyer, M. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
O'Dwyer, M. F.
Roby, K. R.
论文数:
0
引用数:
0
h-index:
0
机构:
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Roby, K. R.
[J].
CHEMICAL PHYSICS LETTERS,
1967,
1
(10)
: 459
-
464
[7]
AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
IBM JOURNAL OF RESEARCH AND DEVELOPMENT,
1965,
9
(01)
: 2
-
&
[8]
CLEMENTI E, 1971, RJ883 IBM RES REP
[9]
ORBITAL-PRODUCT EXPANSION METHOD FOR EVALUATION OF 2-ELECTRON INTEGRALS APPLIED TO A CALCULATION ON MNO-4
DACRE, PD
论文数:
0
引用数:
0
h-index:
0
DACRE, PD
ELDER, M
论文数:
0
引用数:
0
h-index:
0
ELDER, M
[J].
CHEMICAL PHYSICS LETTERS,
1971,
11
(03)
: 377
-
+
[10]
ELECTRONIC STRUCTURE OF PERMANGANATE ION
DAHL, JP
论文数:
0
引用数:
0
h-index:
0
DAHL, JP
JOHANSEN, H
论文数:
0
引用数:
0
h-index:
0
JOHANSEN, H
[J].
THEORETICA CHIMICA ACTA,
1968,
11
(01):
: 8
-
&
←
1
2
3
→
共 30 条
[1]
TRANSITION ENERGIES OF CHROMIUM AND MANGANESE COMPLEXES
ASTIER, M
论文数:
0
引用数:
0
h-index:
0
ASTIER, M
[J].
MOLECULAR PHYSICS,
1970,
19
(02)
: 209
-
+
[2]
INTENSITIES IN INORGANIC COMPLEXES .2. TETRAHEDRAL COMPLEXES
BALLHAUSEN, CJ
论文数:
0
引用数:
0
h-index:
0
BALLHAUSEN, CJ
LIEHR, AD
论文数:
0
引用数:
0
h-index:
0
LIEHR, AD
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1958,
2
(04)
: 342
-
360
[3]
BALLHAUSEN CJ, 1960, J MOL SPECTROSC, V4, P190
[4]
BALLHAUSEN CJ, 1964, MOLECULAR ORBITAL TH
[5]
GAUSSIAN-ORBITAL BASIS SETS FOR FIRST-ROW TRANSITION-METAL ATOMS
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
BASCH, H
HORNBACK, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
HORNBACK, CJ
MOSKOWITZ, JW
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
MOSKOWITZ, JW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(04)
: 1311
-
+
[6]
Towards an adequate molecular orbital interpretation of the ultraviolet spectrum of the permanganate ion
Brown, R. D.
论文数:
0
引用数:
0
h-index:
0
机构:
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Brown, R. D.
James, B. H.
论文数:
0
引用数:
0
h-index:
0
机构:
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
James, B. H.
O'Dwyer, M. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
O'Dwyer, M. F.
Roby, K. R.
论文数:
0
引用数:
0
h-index:
0
机构:
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Monash Univ, Dept Chem, Clayton, Vic 3168, Australia
Roby, K. R.
[J].
CHEMICAL PHYSICS LETTERS,
1967,
1
(10)
: 459
-
464
[7]
AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
IBM JOURNAL OF RESEARCH AND DEVELOPMENT,
1965,
9
(01)
: 2
-
&
[8]
CLEMENTI E, 1971, RJ883 IBM RES REP
[9]
ORBITAL-PRODUCT EXPANSION METHOD FOR EVALUATION OF 2-ELECTRON INTEGRALS APPLIED TO A CALCULATION ON MNO-4
DACRE, PD
论文数:
0
引用数:
0
h-index:
0
DACRE, PD
ELDER, M
论文数:
0
引用数:
0
h-index:
0
ELDER, M
[J].
CHEMICAL PHYSICS LETTERS,
1971,
11
(03)
: 377
-
+
[10]
ELECTRONIC STRUCTURE OF PERMANGANATE ION
DAHL, JP
论文数:
0
引用数:
0
h-index:
0
DAHL, JP
JOHANSEN, H
论文数:
0
引用数:
0
h-index:
0
JOHANSEN, H
[J].
THEORETICA CHIMICA ACTA,
1968,
11
(01):
: 8
-
&
←
1
2
3
→