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ANALYTIC CONFIGURATION-INTERACTION GRADIENT STUDIES OF SH4, SULFURANE
被引:38
作者
:
YOSHIOKA, 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
YOSHIOKA, Y
[
1
]
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
[
1
]
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
[
1
]
机构
:
[1]
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1981年
/ 74卷
/ 03期
关键词
:
D O I
:
10.1063/1.441275
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:1855 / 1863
页数:9
相关论文
共 36 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]
LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
BROOKS, BR
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
LAIDIG, WD
SAXE, P
论文数:
0
引用数:
0
h-index:
0
SAXE, P
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
[J].
PHYSICA SCRIPTA,
1980,
21
(3-4)
: 312
-
322
[3]
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
[4]
BROOKS BR, 1980, P C UNITARY GROUP EV
[5]
SULFURANCES - THEORETICAL ASPECTS OF BONDING, SUBSTITUENT SITE PREFERENCES, AND GEOMETRICAL DISTORTIONS
CHEN, MML
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
CHEN, MML
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
HOFFMANN, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(07)
: 1647
-
1653
[6]
MOLECULAR-STRUCTURE OF "BIS(DIMETHYLAMINO)DIFLUOROSULFURANE - 1ST X-RAY CRYSTAL-STRUCTURE OF A FLUOROSULFURANE
COWLEY, AH
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas at Austin, Austin
COWLEY, AH
RILEY, PE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas at Austin, Austin
RILEY, PE
SZOBOTA, JS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas at Austin, Austin
SZOBOTA, JS
WALKER, ML
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas at Austin, Austin
WALKER, ML
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(19)
: 5620
-
5624
[7]
PHOTOELECTRON SPECTROSCOPIC MOLECULAR ORBITAL STUDY OF SF4 AND RELATED FLUOROSULFURANES
COWLEY, AH
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, The University of Texas at Austin, Austin
COWLEY, AH
LATTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, The University of Texas at Austin, Austin
LATTMAN, M
WALKER, ML
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, The University of Texas at Austin, Austin
WALKER, ML
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(15)
: 4074
-
4080
[8]
GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4907
-
4917
[9]
DEWAR MJS, 1975, CHEM BRIT, V11, P97
[10]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) 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,
1971,
55
(02)
: 716
-
+
←
1
2
3
4
→
共 36 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]
LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
BROOKS, BR
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
LAIDIG, WD
SAXE, P
论文数:
0
引用数:
0
h-index:
0
SAXE, P
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
[J].
PHYSICA SCRIPTA,
1980,
21
(3-4)
: 312
-
322
[3]
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
[4]
BROOKS BR, 1980, P C UNITARY GROUP EV
[5]
SULFURANCES - THEORETICAL ASPECTS OF BONDING, SUBSTITUENT SITE PREFERENCES, AND GEOMETRICAL DISTORTIONS
CHEN, MML
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
CHEN, MML
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
HOFFMANN, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(07)
: 1647
-
1653
[6]
MOLECULAR-STRUCTURE OF "BIS(DIMETHYLAMINO)DIFLUOROSULFURANE - 1ST X-RAY CRYSTAL-STRUCTURE OF A FLUOROSULFURANE
COWLEY, AH
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas at Austin, Austin
COWLEY, AH
RILEY, PE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas at Austin, Austin
RILEY, PE
SZOBOTA, JS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas at Austin, Austin
SZOBOTA, JS
WALKER, ML
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas at Austin, Austin
WALKER, ML
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(19)
: 5620
-
5624
[7]
PHOTOELECTRON SPECTROSCOPIC MOLECULAR ORBITAL STUDY OF SF4 AND RELATED FLUOROSULFURANES
COWLEY, AH
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, The University of Texas at Austin, Austin
COWLEY, AH
LATTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, The University of Texas at Austin, Austin
LATTMAN, M
WALKER, ML
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, The University of Texas at Austin, Austin
WALKER, ML
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(15)
: 4074
-
4080
[8]
GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4907
-
4917
[9]
DEWAR MJS, 1975, CHEM BRIT, V11, P97
[10]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) 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,
1971,
55
(02)
: 716
-
+
←
1
2
3
4
→