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INDO-UHF-CL CALCULATIONS OF ELECTRONIC-STRUCTURE OF FORMALDEHYDE-HYDROGEN SYSTEMS
被引:2
作者
:
MIZUTANI, K
论文数:
0
引用数:
0
h-index:
0
机构:
AOYAMA GAKUIN UNIV, COLL SCI & ENGN, DEPT CHEM, SETAGAYA KU, TOKYO 157, JAPAN
AOYAMA GAKUIN UNIV, COLL SCI & ENGN, DEPT CHEM, SETAGAYA KU, TOKYO 157, JAPAN
MIZUTANI, K
[
1
]
IZUMI, T
论文数:
0
引用数:
0
h-index:
0
机构:
AOYAMA GAKUIN UNIV, COLL SCI & ENGN, DEPT CHEM, SETAGAYA KU, TOKYO 157, JAPAN
AOYAMA GAKUIN UNIV, COLL SCI & ENGN, DEPT CHEM, SETAGAYA KU, TOKYO 157, JAPAN
IZUMI, T
[
1
]
论文数:
引用数:
h-index:
机构:
MATSUMOTO, S
[
1
]
机构
:
[1]
AOYAMA GAKUIN UNIV, COLL SCI & ENGN, DEPT CHEM, SETAGAYA KU, TOKYO 157, JAPAN
来源
:
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
|
1977年
/ 50卷
/ 08期
关键词
:
D O I
:
10.1246/bcsj.50.2113
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:2113 / 2118
页数:6
相关论文
共 31 条
[1]
CONFIGURATION ANALYSIS IN LCAO MOLECULAR ORBITAL THEORY
BABA, H
论文数:
0
引用数:
0
h-index:
0
机构:
Research Institute of Applied Electricity, Hokkaido University, Sapporo
BABA, H
论文数:
引用数:
h-index:
机构:
SUZUKI, S
TAKEMURA, T
论文数:
0
引用数:
0
h-index:
0
机构:
Research Institute of Applied Electricity, Hokkaido University, Sapporo
TAKEMURA, T
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(05)
: 2078
-
&
[2]
BATES DR, 1962, ATOMIC MOLECULAR PRO, P608
[3]
DE-EXCITATION OF ELECTRONICALLY EXCITED SODIUM BY NITROGEN
BAUER, E
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Defense Analyses, Arlington
BAUER, E
FISHER, ER
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Defense Analyses, Arlington
FISHER, ER
GILMORE, FR
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Defense Analyses, Arlington
GILMORE, FR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(10)
: 4173
-
+
[4]
Bjerre A., 1967, CHEM PHYS LETT, V1, P179
[5]
COMBINED SCF AND CI METHOD FOR CALCULATION OF ELECTRONICALLY EXCITED STATES MOLECULES - POTENTIAL CURVES FOR LOW-LYING STATES OF FORMALDEHYDE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(04)
: 1368
-
+
[6]
PHOTOREACTIVITY OF N,PI! EXCITED STATES OF ALKYL KETONES
DALTON, JC
论文数:
0
引用数:
0
h-index:
0
DALTON, JC
TURRO, NJ
论文数:
0
引用数:
0
h-index:
0
TURRO, NJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1970,
21
: 499
-
&
[7]
CONSTITUENT ANALYSIS OF POTENTIAL GRADIENT ALONG A REACTION COORDINATE - METHOD AND AN APPLICATION TO CH4 + T REACTION
FUKUI, K
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
FUKUI, K
KATO, S
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KATO, S
FUJIMOTO, H
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
FUJIMOTO, H
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(01)
: 1
-
7
[8]
The orthogonality constrained basis set expansion method for treating off-diagonal lagrange multipliers in calculations of electronic wave functions
Hunt, W. J.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Hunt, W. J.
Dunwng, T. H., Jr.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Dunwng, T. H., Jr.
Goddard, W. A., III
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Goddard, W. A., III
[J].
CHEMICAL PHYSICS LETTERS,
1969,
3
(08)
: 606
-
610
[9]
IGAWA A, 1974, PROG THEOR PHYS, V52, P115
[10]
MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .5. ANALYSIS OF HYDROGEN-BOND ENERGY BETWEEN LOWER EXCITED-STATES OF H2CO AND H2O
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
IWATA, S
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(23)
: 7563
-
7575
←
1
2
3
4
→
共 31 条
[1]
CONFIGURATION ANALYSIS IN LCAO MOLECULAR ORBITAL THEORY
BABA, H
论文数:
0
引用数:
0
h-index:
0
机构:
Research Institute of Applied Electricity, Hokkaido University, Sapporo
BABA, H
论文数:
引用数:
h-index:
机构:
SUZUKI, S
TAKEMURA, T
论文数:
0
引用数:
0
h-index:
0
机构:
Research Institute of Applied Electricity, Hokkaido University, Sapporo
TAKEMURA, T
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(05)
: 2078
-
&
[2]
BATES DR, 1962, ATOMIC MOLECULAR PRO, P608
[3]
DE-EXCITATION OF ELECTRONICALLY EXCITED SODIUM BY NITROGEN
BAUER, E
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Defense Analyses, Arlington
BAUER, E
FISHER, ER
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Defense Analyses, Arlington
FISHER, ER
GILMORE, FR
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Defense Analyses, Arlington
GILMORE, FR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(10)
: 4173
-
+
[4]
Bjerre A., 1967, CHEM PHYS LETT, V1, P179
[5]
COMBINED SCF AND CI METHOD FOR CALCULATION OF ELECTRONICALLY EXCITED STATES MOLECULES - POTENTIAL CURVES FOR LOW-LYING STATES OF FORMALDEHYDE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(04)
: 1368
-
+
[6]
PHOTOREACTIVITY OF N,PI! EXCITED STATES OF ALKYL KETONES
DALTON, JC
论文数:
0
引用数:
0
h-index:
0
DALTON, JC
TURRO, NJ
论文数:
0
引用数:
0
h-index:
0
TURRO, NJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1970,
21
: 499
-
&
[7]
CONSTITUENT ANALYSIS OF POTENTIAL GRADIENT ALONG A REACTION COORDINATE - METHOD AND AN APPLICATION TO CH4 + T REACTION
FUKUI, K
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
FUKUI, K
KATO, S
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KATO, S
FUJIMOTO, H
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
FUJIMOTO, H
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(01)
: 1
-
7
[8]
The orthogonality constrained basis set expansion method for treating off-diagonal lagrange multipliers in calculations of electronic wave functions
Hunt, W. J.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Hunt, W. J.
Dunwng, T. H., Jr.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Dunwng, T. H., Jr.
Goddard, W. A., III
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Goddard, W. A., III
[J].
CHEMICAL PHYSICS LETTERS,
1969,
3
(08)
: 606
-
610
[9]
IGAWA A, 1974, PROG THEOR PHYS, V52, P115
[10]
MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .5. ANALYSIS OF HYDROGEN-BOND ENERGY BETWEEN LOWER EXCITED-STATES OF H2CO AND H2O
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
IWATA, S
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(23)
: 7563
-
7575
←
1
2
3
4
→