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RECENT COMPUTATIONAL DEVELOPMENTS WITH THE SELF-CONSISTENT ELECTRON PAIRS METHOD AND APPLICATION TO THE STABILITY OF GLYCINE CONFORMERS
被引:62
作者
:
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
CHILES, RA
论文数:
0
引用数:
0
h-index:
0
CHILES, RA
GARRETT, MD
论文数:
0
引用数:
0
h-index:
0
GARRETT, MD
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1981年
/ 2卷
/ 03期
关键词
:
D O I
:
10.1002/jcc.540020308
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:266 / 272
页数:7
相关论文
共 32 条
[1]
MANY-BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELS
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Physikalische Chemie und Elektrochemie, Universität Karlsruhe, 7500 Karlsruhe
AHLRICHS, R
[J].
COMPUTER PHYSICS COMMUNICATIONS,
1979,
17
(1-2)
: 31
-
45
[2]
GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
BROOKS, BR
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(11)
: 5092
-
5106
[3]
MICROWAVE-SPECTRUM AND CONFORMATION OF GLYCINE
BROWN, RD
论文数:
0
引用数:
0
h-index:
0
BROWN, RD
GODFREY, PD
论文数:
0
引用数:
0
h-index:
0
GODFREY, PD
STOREY, JWV
论文数:
0
引用数:
0
h-index:
0
STOREY, JWV
BASSEZ, MP
论文数:
0
引用数:
0
h-index:
0
BASSEZ, MP
[J].
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1978,
(13)
: 547
-
548
[4]
AN ELECTRON PAIR OPERATOR APPROACH TO COUPLED CLUSTER WAVE-FUNCTIONS - APPLICATION TO HE-2, BE-2, AND MG-2 AND COMPARISON WITH CEPA METHODS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(08)
: 4544
-
4556
[5]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[6]
STRUCTURES AND ENERGIES OF CUMULENE CARBENES
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Sciences, University of Illinois, Urbana, Illinois
DYKSTRA, CE
PARSONS, CA
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Sciences, University of Illinois, Urbana, Illinois
PARSONS, CA
OATES, CL
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Sciences, University of Illinois, Urbana, Illinois
OATES, CL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(08)
: 1962
-
1965
[7]
PERFECT PAIRING VALENCE BOND GENERALIZATION OF SELF-CONSISTENT ELECTRON PAIR THEORY
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(05)
: 2928
-
2935
[8]
SELF-CONSISTENT ELECTRON PAIR THEORY FOR CERTAIN TYPES OF OPEN-SHELL WAVEFUNCTIONS
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
DYKSTRA, CE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(10)
: 4716
-
4718
[9]
THEORY OF SELF-CONSISTENT ELECTRON PAIRS - COMPUTATIONAL METHODS AND PRELIMINARY APPLICATIONS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(07)
: 2740
-
2750
[10]
DYKSTRA CE, 1978, QCPE, V11, P346
←
1
2
3
4
→
共 32 条
[1]
MANY-BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELS
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Physikalische Chemie und Elektrochemie, Universität Karlsruhe, 7500 Karlsruhe
AHLRICHS, R
[J].
COMPUTER PHYSICS COMMUNICATIONS,
1979,
17
(1-2)
: 31
-
45
[2]
GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
BROOKS, BR
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(11)
: 5092
-
5106
[3]
MICROWAVE-SPECTRUM AND CONFORMATION OF GLYCINE
BROWN, RD
论文数:
0
引用数:
0
h-index:
0
BROWN, RD
GODFREY, PD
论文数:
0
引用数:
0
h-index:
0
GODFREY, PD
STOREY, JWV
论文数:
0
引用数:
0
h-index:
0
STOREY, JWV
BASSEZ, MP
论文数:
0
引用数:
0
h-index:
0
BASSEZ, MP
[J].
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1978,
(13)
: 547
-
548
[4]
AN ELECTRON PAIR OPERATOR APPROACH TO COUPLED CLUSTER WAVE-FUNCTIONS - APPLICATION TO HE-2, BE-2, AND MG-2 AND COMPARISON WITH CEPA METHODS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(08)
: 4544
-
4556
[5]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[6]
STRUCTURES AND ENERGIES OF CUMULENE CARBENES
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Sciences, University of Illinois, Urbana, Illinois
DYKSTRA, CE
PARSONS, CA
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Sciences, University of Illinois, Urbana, Illinois
PARSONS, CA
OATES, CL
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Sciences, University of Illinois, Urbana, Illinois
OATES, CL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(08)
: 1962
-
1965
[7]
PERFECT PAIRING VALENCE BOND GENERALIZATION OF SELF-CONSISTENT ELECTRON PAIR THEORY
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(05)
: 2928
-
2935
[8]
SELF-CONSISTENT ELECTRON PAIR THEORY FOR CERTAIN TYPES OF OPEN-SHELL WAVEFUNCTIONS
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
DYKSTRA, CE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(10)
: 4716
-
4718
[9]
THEORY OF SELF-CONSISTENT ELECTRON PAIRS - COMPUTATIONAL METHODS AND PRELIMINARY APPLICATIONS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(07)
: 2740
-
2750
[10]
DYKSTRA CE, 1978, QCPE, V11, P346
←
1
2
3
4
→