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THE GROUND-STATE OF THE CN+ ION - A MULTI-REFERENCE CI STUDY
被引:317
作者
:
BRUNA, PJ
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
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
BRUNA, PJ
[
1
]
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
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
PEYERIMHOFF, SD
[
1
]
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
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
BUENKER, RJ
[
1
]
机构
:
[1]
GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
来源
:
CHEMICAL PHYSICS LETTERS
|
1980年
/ 72卷
/ 02期
关键词
:
D O I
:
10.1016/0009-2614(80)80291-0
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:278 / 284
页数:7
相关论文
共 14 条
[1]
A'3SIGMAG--X'3IIU BAND SYSTEM OF C2 MOLECULE
[J].
BALLIK, EA
论文数:
0
引用数:
0
h-index:
0
BALLIK, EA
;
RAMSAY, DA
论文数:
0
引用数:
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h-index:
0
RAMSAY, DA
.
ASTROPHYSICAL JOURNAL,
1963,
137
(01)
:61
-&
[2]
AN EXTENSION OF PHILLIPS SYSTEM OF C2 AND A SURVEY OF C2 STATES
[J].
BALLIK, EA
论文数:
0
引用数:
0
h-index:
0
BALLIK, EA
;
RAMSAY, DA
论文数:
0
引用数:
0
h-index:
0
RAMSAY, DA
.
ASTROPHYSICAL JOURNAL,
1963,
137
(01)
:84
-&
[3]
BRUNA PJ, UNPUBLISHED
[4]
ENERGY EXTRAPOLATION IN CI CALCULATIONS
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
PEYERIMHOFF, SD
.
THEORETICA CHIMICA ACTA,
1975,
39
(03)
:217
-228
[5]
APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
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0
h-index:
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UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
PEYERIMHOFF, SD
;
BUTSCHER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BUTSCHER, W
.
MOLECULAR PHYSICS,
1978,
35
(03)
:771
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[6]
DAVIDSON ER, 1979, WORLD QUANTUM CHEM, P17
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
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DUNNING, TH
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JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
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[8]
ABINITIO CI STUDY OF CN+ - IDENTITY OF THE GROUND-STATE
[J].
HA, TK
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, Zurich
HA, TK
.
CHEMICAL PHYSICS LETTERS,
1979,
66
(02)
:317
-320
[9]
ABINITIO POTENTIAL CURVES FOR THE LOWEST SIGMA-1+ AND PI-3 STATES OF THE ION CN+
[J].
HIRST, DM
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry and Moleular Sciences, University of Warwick, Coventry
HIRST, DM
.
CHEMICAL PHYSICS LETTERS,
1979,
65
(01)
:181
-183
[10]
CONFIGURATION INTERACTION STUDY OF SPIN DIPOLE-DIPOLE PARAMETERS FOR FORMALDEHYDE AND METHYLENE
[J].
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
LANGHOFF, SR
;
ELBERT, ST
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
ELBERT, ST
;
DAVIDSON, ER
论文数:
0
引用数:
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h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
DAVIDSON, ER
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1973,
7
(05)
:999
-1019
←
1
2
→
共 14 条
[1]
A'3SIGMAG--X'3IIU BAND SYSTEM OF C2 MOLECULE
[J].
BALLIK, EA
论文数:
0
引用数:
0
h-index:
0
BALLIK, EA
;
RAMSAY, DA
论文数:
0
引用数:
0
h-index:
0
RAMSAY, DA
.
ASTROPHYSICAL JOURNAL,
1963,
137
(01)
:61
-&
[2]
AN EXTENSION OF PHILLIPS SYSTEM OF C2 AND A SURVEY OF C2 STATES
[J].
BALLIK, EA
论文数:
0
引用数:
0
h-index:
0
BALLIK, EA
;
RAMSAY, DA
论文数:
0
引用数:
0
h-index:
0
RAMSAY, DA
.
ASTROPHYSICAL JOURNAL,
1963,
137
(01)
:84
-&
[3]
BRUNA PJ, UNPUBLISHED
[4]
ENERGY EXTRAPOLATION IN CI CALCULATIONS
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
PEYERIMHOFF, SD
.
THEORETICA CHIMICA ACTA,
1975,
39
(03)
:217
-228
[5]
APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
PEYERIMHOFF, SD
;
BUTSCHER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, INST PHYS CHEM, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BUTSCHER, W
.
MOLECULAR PHYSICS,
1978,
35
(03)
:771
-791
[6]
DAVIDSON ER, 1979, WORLD QUANTUM CHEM, P17
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
[8]
ABINITIO CI STUDY OF CN+ - IDENTITY OF THE GROUND-STATE
[J].
HA, TK
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, Zurich
HA, TK
.
CHEMICAL PHYSICS LETTERS,
1979,
66
(02)
:317
-320
[9]
ABINITIO POTENTIAL CURVES FOR THE LOWEST SIGMA-1+ AND PI-3 STATES OF THE ION CN+
[J].
HIRST, DM
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry and Moleular Sciences, University of Warwick, Coventry
HIRST, DM
.
CHEMICAL PHYSICS LETTERS,
1979,
65
(01)
:181
-183
[10]
CONFIGURATION INTERACTION STUDY OF SPIN DIPOLE-DIPOLE PARAMETERS FOR FORMALDEHYDE AND METHYLENE
[J].
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
LANGHOFF, SR
;
ELBERT, ST
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
ELBERT, ST
;
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195
DAVIDSON, ER
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1973,
7
(05)
:999
-1019
←
1
2
→