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THEORETICAL EQUILIBRIUM GEOMETRY, VIBRATIONAL FREQUENCIES AND THE 1ST-ELECTRONIC TRANSITION ENERGY OF HCC
被引:43
作者
:
论文数:
引用数:
h-index:
机构:
FOGARASI, G
[
1
]
BOGGS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
BOGGS, JE
[
1
]
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
PULAY, P
[
1
]
机构
:
[1]
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
来源
:
MOLECULAR PHYSICS
|
1983年
/ 50卷
/ 01期
关键词
:
D O I
:
10.1080/00268978300102231
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:139 / 151
页数:13
相关论文
共 20 条
[1]
ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
BROOKS, BR
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
LAIDIG, WD
SAXE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SAXE, P
GODDARD, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
GODDARD, JD
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
YAMAGUCHI, Y
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(08)
: 4652
-
4653
[2]
A-2PHI[-X-2SIGMA+ INFRARED ELECTRONIC-TRANSITION OF C2H
CARRICK, PG
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
CARRICK, PG
MERER, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
MERER, AJ
CURL, RF
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
CURL, RF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(06)
: 3652
-
3658
[3]
INFRARED-ABSORPTION SPECTRUM OF C2H RADICAL WITH COLOR CENTER LASER
CARRICK, PG
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
CARRICK, PG
PFEIFFER, J
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
PFEIFFER, J
CURL, RF
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
CURL, RF
KOESTER, E
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
KOESTER, E
TITTEL, FK
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
TITTEL, FK
KASPER, JVV
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
KASPER, JVV
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(06)
: 3336
-
3337
[4]
OPTICAL-SPECTRUM OF C2H - COMMENT
GILRA, DP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLL CARDIFF,DEPT APPL MATH & ASTRON,CARDIFF,WALES
UNIV COLL CARDIFF,DEPT APPL MATH & ASTRON,CARDIFF,WALES
GILRA, DP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(05)
: 2263
-
2264
[5]
C2H RADICAL - C-13 HYPERFINE INTERACTION AND OPTICAL-SPECTRUM
GRAHAM, WRM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
GRAHAM, WRM
DISMUKE, KI
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
DISMUKE, KI
WELTNER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
WELTNER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(10)
: 3817
-
3823
[6]
GILRA,DP ON C2H RADICAL - C-13 HYPERFINE INTERACTION AND OPTICAL-SPECTRUM - REPLY
GRAHAM, WRM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
GRAHAM, WRM
DISMUKE, KI
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
DISMUKE, KI
WELTNER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
WELTNER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(05)
: 2264
-
2265
[7]
THEORETICAL-STUDY, INCLUDING CORRELATION, OF LOW-LYING STATES OF ETHYNYL RADICAL
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,CHEM DEPT,MANCHESTER M13 9PL,ENGLAND
HILLIER, IH
KENDRICK, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,CHEM DEPT,MANCHESTER M13 9PL,ENGLAND
KENDRICK, J
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,CHEM DEPT,MANCHESTER M13 9PL,ENGLAND
GUEST, MF
[J].
MOLECULAR PHYSICS,
1975,
30
(04)
: 1133
-
1138
[8]
MATRIX-ISOLATION STUDY OF VIBRATIONAL-SPECTRUM AND STRUCTURE OF HC2
JACOX, ME
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,INST MAT RES,WASHINGTON,DC 20234
NBS,INST MAT RES,WASHINGTON,DC 20234
JACOX, ME
[J].
CHEMICAL PHYSICS,
1975,
7
(03)
: 424
-
432
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
BINKLEY, JS
SEEGER, R
论文数:
0
引用数:
0
h-index:
0
SEEGER, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(01)
: 650
-
654
[10]
CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
LANGHOFF, SR
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
DAVIDSON, ER
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1974,
8
(01)
: 61
-
72
←
1
2
→
共 20 条
[1]
ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
BROOKS, BR
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
LAIDIG, WD
SAXE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SAXE, P
GODDARD, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
GODDARD, JD
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
YAMAGUCHI, Y
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(08)
: 4652
-
4653
[2]
A-2PHI[-X-2SIGMA+ INFRARED ELECTRONIC-TRANSITION OF C2H
CARRICK, PG
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
CARRICK, PG
MERER, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
MERER, AJ
CURL, RF
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77001
CURL, RF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(06)
: 3652
-
3658
[3]
INFRARED-ABSORPTION SPECTRUM OF C2H RADICAL WITH COLOR CENTER LASER
CARRICK, PG
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
CARRICK, PG
PFEIFFER, J
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
PFEIFFER, J
CURL, RF
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
CURL, RF
KOESTER, E
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
KOESTER, E
TITTEL, FK
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
TITTEL, FK
KASPER, JVV
论文数:
0
引用数:
0
h-index:
0
机构:
RICE UNIV,DEPT CHEM,HOUSTON,TX 77001
KASPER, JVV
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(06)
: 3336
-
3337
[4]
OPTICAL-SPECTRUM OF C2H - COMMENT
GILRA, DP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLL CARDIFF,DEPT APPL MATH & ASTRON,CARDIFF,WALES
UNIV COLL CARDIFF,DEPT APPL MATH & ASTRON,CARDIFF,WALES
GILRA, DP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(05)
: 2263
-
2264
[5]
C2H RADICAL - C-13 HYPERFINE INTERACTION AND OPTICAL-SPECTRUM
GRAHAM, WRM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
GRAHAM, WRM
DISMUKE, KI
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
DISMUKE, KI
WELTNER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
WELTNER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(10)
: 3817
-
3823
[6]
GILRA,DP ON C2H RADICAL - C-13 HYPERFINE INTERACTION AND OPTICAL-SPECTRUM - REPLY
GRAHAM, WRM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
GRAHAM, WRM
DISMUKE, KI
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
DISMUKE, KI
WELTNER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
WELTNER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(05)
: 2264
-
2265
[7]
THEORETICAL-STUDY, INCLUDING CORRELATION, OF LOW-LYING STATES OF ETHYNYL RADICAL
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,CHEM DEPT,MANCHESTER M13 9PL,ENGLAND
HILLIER, IH
KENDRICK, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,CHEM DEPT,MANCHESTER M13 9PL,ENGLAND
KENDRICK, J
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,CHEM DEPT,MANCHESTER M13 9PL,ENGLAND
GUEST, MF
[J].
MOLECULAR PHYSICS,
1975,
30
(04)
: 1133
-
1138
[8]
MATRIX-ISOLATION STUDY OF VIBRATIONAL-SPECTRUM AND STRUCTURE OF HC2
JACOX, ME
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,INST MAT RES,WASHINGTON,DC 20234
NBS,INST MAT RES,WASHINGTON,DC 20234
JACOX, ME
[J].
CHEMICAL PHYSICS,
1975,
7
(03)
: 424
-
432
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
BINKLEY, JS
SEEGER, R
论文数:
0
引用数:
0
h-index:
0
SEEGER, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(01)
: 650
-
654
[10]
CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
LANGHOFF, SR
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105
DAVIDSON, ER
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1974,
8
(01)
: 61
-
72
←
1
2
→