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THE EQUILIBRIUM STRUCTURES OF THE NN-HF AND OC-HF COMPLEXES
被引:43
作者
:
BENZEL, MA
论文数:
0
引用数:
0
h-index:
0
BENZEL, MA
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1982年
/ 77卷
/ 03期
关键词
:
D O I
:
10.1063/1.443942
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:1602 / 1603
页数:2
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APPLICATION OF AN APPROXIMATE DOUBLE SUBSTITUTION COUPLED CLUSTER (ACCD) METHOD TO THE POTENTIAL CURVES OF CO AND NEHE - HIGHER-ORDER CORRELATION-EFFECTS IN CHEMICALLY AND WEAKLY BONDED MOLECULES
[J].
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CHILES, RA
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DYKSTRA, CE
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DYKSTRA, CE
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JOURNAL OF CHEMICAL PHYSICS,
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STRETCHING FORCE-CONSTANTS AND DERIVATIVES OF THE DIPOLE-MOMENT OF THE F-H ... NCH HYDROGEN-BONDED COMPLEX - PRELIMINARY-RESULTS AT THE SCF LEVEL
[J].
BOUTEILLER, Y
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机构:
CNRS, CTR MECAN ONDULATOIRE APPL, F-75019 PARIS, FRANCE
CNRS, CTR MECAN ONDULATOIRE APPL, F-75019 PARIS, FRANCE
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CNRS, CTR MECAN ONDULATOIRE APPL, F-75019 PARIS, FRANCE
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CHEMICAL PHYSICS LETTERS,
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TESTING OF DIATOMIC POTENTIAL-ENERGY FUNCTIONS BY NUMERICAL METHODS
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AN EFFICIENT AND ACCURATE APPROXIMATION TO DOUBLE SUBSTITUTION COUPLED CLUSTER WAVEFUNCTIONS
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CHEMICAL PHYSICS LETTERS,
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Cooley JW., 1961, MATH COMPUT, V15, P363, DOI [10.2307/2003025, DOI 10.2307/2003025]
[6]
MOLECULAR-ORBITAL CALCULATION OF SOME VIBRATIONAL PROPERTIES OF COMPLEX BETWEEN HCN AND HF
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DYKSTRA, CE
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←
1
2
3
→
共 25 条
[1]
APPLICATION OF AN APPROXIMATE DOUBLE SUBSTITUTION COUPLED CLUSTER (ACCD) METHOD TO THE POTENTIAL CURVES OF CO AND NEHE - HIGHER-ORDER CORRELATION-EFFECTS IN CHEMICALLY AND WEAKLY BONDED MOLECULES
[J].
BACHRACH, SM
论文数:
0
引用数:
0
h-index:
0
BACHRACH, SM
;
CHILES, RA
论文数:
0
引用数:
0
h-index:
0
CHILES, RA
;
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(05)
:2270
-2275
[2]
STRETCHING FORCE-CONSTANTS AND DERIVATIVES OF THE DIPOLE-MOMENT OF THE F-H ... NCH HYDROGEN-BONDED COMPLEX - PRELIMINARY-RESULTS AT THE SCF LEVEL
[J].
BOUTEILLER, Y
论文数:
0
引用数:
0
h-index:
0
机构:
CNRS, CTR MECAN ONDULATOIRE APPL, F-75019 PARIS, FRANCE
CNRS, CTR MECAN ONDULATOIRE APPL, F-75019 PARIS, FRANCE
BOUTEILLER, Y
;
ALLAVENA, M
论文数:
0
引用数:
0
h-index:
0
机构:
CNRS, CTR MECAN ONDULATOIRE APPL, F-75019 PARIS, FRANCE
CNRS, CTR MECAN ONDULATOIRE APPL, F-75019 PARIS, FRANCE
ALLAVENA, M
;
LECLERCQ, JM
论文数:
0
引用数:
0
h-index:
0
机构:
CNRS, CTR MECAN ONDULATOIRE APPL, F-75019 PARIS, FRANCE
CNRS, CTR MECAN ONDULATOIRE APPL, F-75019 PARIS, FRANCE
LECLERCQ, JM
.
CHEMICAL PHYSICS LETTERS,
1981,
84
(01)
:91
-93
[3]
TESTING OF DIATOMIC POTENTIAL-ENERGY FUNCTIONS BY NUMERICAL METHODS
[J].
CASHION, JK
论文数:
0
引用数:
0
h-index:
0
CASHION, JK
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(07)
:1872
-&
[4]
AN EFFICIENT AND ACCURATE APPROXIMATION TO DOUBLE SUBSTITUTION COUPLED CLUSTER WAVEFUNCTIONS
[J].
CHILES, RA
论文数:
0
引用数:
0
h-index:
0
CHILES, RA
;
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
.
CHEMICAL PHYSICS LETTERS,
1981,
80
(01)
:69
-72
[5]
Cooley JW., 1961, MATH COMPUT, V15, P363, DOI [10.2307/2003025, DOI 10.2307/2003025]
[6]
MOLECULAR-ORBITAL CALCULATION OF SOME VIBRATIONAL PROPERTIES OF COMPLEX BETWEEN HCN AND HF
[J].
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CURTISS, LA
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1973,
48
(03)
:413
-426
[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]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) 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,
1971,
55
(02)
:716
-+
[9]
POTENTIAL-ENERGY BARRIERS IN UNIMOLECULAR REARRANGEMENTS
[J].
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
:25
-52
[10]
THEORY OF SELF-CONSISTENT ELECTRON PAIRS - COMPUTATIONAL METHODS AND PRELIMINARY APPLICATIONS
[J].
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
DYKSTRA, CE
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
SCHAEFER, HF
;
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
MEYER, W
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(07)
:2740
-2750
←
1
2
3
→