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GEOMETRY RELAXATION EFFECTS IN THE 11BU AND 21AG STATES OF TRANS-1,3-BUTADIENE
被引:51
作者
:
SZALAY, PG
论文数:
0
引用数:
0
h-index:
0
SZALAY, PG
KARPFEN, A
论文数:
0
引用数:
0
h-index:
0
KARPFEN, A
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
LISCHKA, H
机构
:
来源
:
CHEMICAL PHYSICS
|
1989年
/ 130卷
/ 1-3期
关键词
:
D O I
:
10.1016/0301-0104(89)87052-1
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:219 / 228
页数:10
相关论文
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IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205
[J].
AHLRICHS, R
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0
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0
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机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
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VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
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机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHIFFER, H
;
LISCHKA, H
论文数:
0
引用数:
0
h-index:
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VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
LISCHKA, H
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VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
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6
(03)
:200
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AN MCSCF STUDY OF THE LOW-LYING STATES OF TRANS-BUTADIENE
[J].
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0
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AOYAGI, M
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OSAMURA, Y
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OSAMURA, Y
;
IWATA, S
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h-index:
0
IWATA, S
.
JOURNAL OF CHEMICAL PHYSICS,
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[3]
USE OF CONFIGURATION SELECTION METHODS TO STUDY THE SUDDEN POLARIZATION EFFECT
[J].
BONACICKOUTECKY, V
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0
h-index:
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机构:
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
BONACICKOUTECKY, V
;
BUENKER, RJ
论文数:
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0
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GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
BUENKER, RJ
;
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PEYERIMHOFF, SD
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
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[4]
CI STUDY OF GEOMETRICAL RELAXATION IN THE EXCITED-STATES OF BUTADIENE - ENERGY SURFACES AND PROPERTIES FOR SIMULTANEOUS TORSION AND ELONGATION OF ONE DOUBLE-BOND
[J].
BONACICKOUTECKY, V
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST PHYS CHEM, D-1000 BERLIN 33, FED REP GER
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FREE UNIV BERLIN, INST PHYS CHEM, D-1000 BERLIN 33, FED REP GER
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;
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论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST PHYS CHEM, D-1000 BERLIN 33, FED REP GER
DOHNERT, D
;
论文数:
引用数:
h-index:
机构:
SEVIN, A
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
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[5]
N(1AG), T(3B1U), AND V(1B1U) STATES OF VERTICAL ETHYLENE
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BROOKS, BR
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;
SCHAEFER, HF
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0
引用数:
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.
JOURNAL OF CHEMICAL PHYSICS,
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68
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:4839
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[6]
Buenker R. J., 1976, CHEM PHYS, V9, P75
[7]
ALL-VALENCE-ELECTRON CI TREATMENT OF ELECTRONIC-SPECTRUM OF TRANS-BUTADIENE
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
BUENKER, RJ
;
SHIH, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
SHIH, S
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
PEYERIMHOFF, SD
.
CHEMICAL PHYSICS LETTERS,
1976,
44
(02)
:385
-393
[8]
ELECTRONIC WAVEFUNCTIONS FOR ATOMS .3. PARTITION OF DEGENERATE SPACES AND GROUND STATE OF C
[J].
BUNGE, A
论文数:
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引用数:
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BUNGE, A
.
JOURNAL OF CHEMICAL PHYSICS,
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53
(01)
:20
-&
[9]
NON-VERTICAL EXCITATION-ENERGIES FOR LOW-LYING SINGLET-STATES OF BUTADIENE AND HEXATRIENE
[J].
CAVE, RJ
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0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
CAVE, RJ
;
DAVIDSON, ER
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INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
DAVIDSON, ER
.
CHEMICAL PHYSICS LETTERS,
1988,
148
(2-3)
:190
-196
[10]
A THEORETICAL INVESTIGATION OF SOME LOW-LYING SINGLET-STATES OF 1,3-BUTADIENE
[J].
CAVE, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
CAVE, RJ
;
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
DAVIDSON, ER
.
JOURNAL OF PHYSICAL CHEMISTRY,
1987,
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(17)
:4481
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←
1
2
3
→
共 30 条
[1]
IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
AHLRICHS, R
;
BOHM, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
BOHM, HJ
;
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
EHRHARDT, C
;
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHARF, P
;
SCHIFFER, H
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHIFFER, H
;
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
LISCHKA, H
;
SCHINDLER, M
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHINDLER, M
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1985,
6
(03)
:200
-208
[2]
AN MCSCF STUDY OF THE LOW-LYING STATES OF TRANS-BUTADIENE
[J].
AOYAGI, M
论文数:
0
引用数:
0
h-index:
0
AOYAGI, M
;
OSAMURA, Y
论文数:
0
引用数:
0
h-index:
0
OSAMURA, Y
;
IWATA, S
论文数:
0
引用数:
0
h-index:
0
IWATA, S
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(03)
:1140
-1148
[3]
USE OF CONFIGURATION SELECTION METHODS TO STUDY THE SUDDEN POLARIZATION EFFECT
[J].
BONACICKOUTECKY, V
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
BONACICKOUTECKY, V
;
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
PEYERIMHOFF, SD
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(20)
:5917
-5922
[4]
CI STUDY OF GEOMETRICAL RELAXATION IN THE EXCITED-STATES OF BUTADIENE - ENERGY SURFACES AND PROPERTIES FOR SIMULTANEOUS TORSION AND ELONGATION OF ONE DOUBLE-BOND
[J].
BONACICKOUTECKY, V
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST PHYS CHEM, D-1000 BERLIN 33, FED REP GER
BONACICKOUTECKY, V
;
PERSICO, M
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST PHYS CHEM, D-1000 BERLIN 33, FED REP GER
PERSICO, M
;
DOHNERT, D
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV BERLIN, INST PHYS CHEM, D-1000 BERLIN 33, FED REP GER
DOHNERT, D
;
论文数:
引用数:
h-index:
机构:
SEVIN, A
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(25)
:6900
-6907
[5]
N(1AG), T(3B1U), AND V(1B1U) STATES OF VERTICAL ETHYLENE
[J].
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
BROOKS, BR
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(11)
:4839
-4847
[6]
Buenker R. J., 1976, CHEM PHYS, V9, P75
[7]
ALL-VALENCE-ELECTRON CI TREATMENT OF ELECTRONIC-SPECTRUM OF TRANS-BUTADIENE
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
BUENKER, RJ
;
SHIH, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
SHIH, S
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
PEYERIMHOFF, SD
.
CHEMICAL PHYSICS LETTERS,
1976,
44
(02)
:385
-393
[8]
ELECTRONIC WAVEFUNCTIONS FOR ATOMS .3. PARTITION OF DEGENERATE SPACES AND GROUND STATE OF C
[J].
BUNGE, A
论文数:
0
引用数:
0
h-index:
0
BUNGE, A
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(01)
:20
-&
[9]
NON-VERTICAL EXCITATION-ENERGIES FOR LOW-LYING SINGLET-STATES OF BUTADIENE AND HEXATRIENE
[J].
CAVE, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
CAVE, RJ
;
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
DAVIDSON, ER
.
CHEMICAL PHYSICS LETTERS,
1988,
148
(2-3)
:190
-196
[10]
A THEORETICAL INVESTIGATION OF SOME LOW-LYING SINGLET-STATES OF 1,3-BUTADIENE
[J].
CAVE, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
CAVE, RJ
;
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
DAVIDSON, ER
.
JOURNAL OF PHYSICAL CHEMISTRY,
1987,
91
(17)
:4481
-4490
←
1
2
3
→