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THE GENERAL ATOMIC AND MOLECULAR ELECTRONIC-STRUCTURE SYSTEM HONDO - VERSION-7.0
被引:90
作者
:
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
DUPUIS, M
WATTS, JD
论文数:
0
引用数:
0
h-index:
0
WATTS, JD
VILLAR, HO
论文数:
0
引用数:
0
h-index:
0
VILLAR, HO
HURST, GJB
论文数:
0
引用数:
0
h-index:
0
HURST, GJB
机构
:
来源
:
COMPUTER PHYSICS COMMUNICATIONS
|
1989年
/ 52卷
/ 03期
关键词
:
D O I
:
10.1016/0010-4655(89)90116-1
中图分类号
:
TP39 [计算机的应用];
学科分类号
:
081203 ;
0835 ;
摘要
:
引用
收藏
页码:415 / 425
页数:11
相关论文
共 37 条
[1]
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[2]
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
[3]
USE OF MOLECULAR SYMMETRY IN 2-ELECTRON INTEGRAL TRANSFORMATION - AN MP2 PROGRAM COMPATIBLE WITH HONDO-5
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
机构:
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
CARSKY, P
HESS, BA
论文数:
0
引用数:
0
h-index:
0
机构:
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
HESS, BA
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
机构:
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
SCHAAD, LJ
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1984,
5
(03)
: 280
-
287
[4]
ON FINDING TRANSITION-STATES
CERJAN, CJ
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
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
CERJAN, CJ
MILLER, WH
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
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
MILLER, WH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(06)
: 2800
-
2806
[5]
ELECTRONIC REARRANGEMENTS DURING CHEMICAL-REACTIONS .2. PLANAR DISSOCIATION OF ETHYLENE
CHEUNG, LM
论文数:
0
引用数:
0
h-index:
0
机构:
US DOE,AMES LAB,AMES,IA 50011
CHEUNG, LM
SUNDBERG, KR
论文数:
0
引用数:
0
h-index:
0
机构:
US DOE,AMES LAB,AMES,IA 50011
SUNDBERG, KR
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
机构:
US DOE,AMES LAB,AMES,IA 50011
RUEDENBERG, K
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1979,
16
(05)
: 1103
-
1139
[6]
SPIN-RESTRICTED OPEN-SHELL SELF-CONSISTENT-FIELD THEORY
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT,SEATTLE,WA 98195
DAVIDSON, ER
[J].
CHEMICAL PHYSICS LETTERS,
1973,
21
(03)
: 565
-
567
[7]
ELECTRONIC-STRUCTURE OF VINOXY RADICAL CH2CHO
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
DUPUIS, M
WENDOLOSKI, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
WENDOLOSKI, JJ
LESTER, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
LESTER, WA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(01)
: 488
-
492
[8]
FORMALDEHYDE - ABINITIO MCSCF+CL TRANSITION-STATE FOR H2CO-]CO+ H-2 ON THE S0 SURFACE
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,SAN JOSE,CA 95193
IBM CORP,SAN JOSE,CA 95193
DUPUIS, M
LESTER, WA
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,SAN JOSE,CA 95193
IBM CORP,SAN JOSE,CA 95193
LESTER, WA
LENGSFIELD, BH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,SAN JOSE,CA 95193
IBM CORP,SAN JOSE,CA 95193
LENGSFIELD, BH
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,SAN JOSE,CA 95193
IBM CORP,SAN JOSE,CA 95193
LIU, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(12)
: 6167
-
6173
[9]
SYSTEMATIC GVB STUDY OF HARMONIC VIBRATIONAL FREQUENCIES AND DIPOLE-MOMENT DERIVATIVES - THE VINYL RADICAL C2H3 AND OTHER SIMPLE MOLECULES
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
DUPUIS, M
WENDOLOSKI, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
WENDOLOSKI, JJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(11)
: 5696
-
5702
[10]
MOLECULAR SYMMETRY AND CLOSED-SHELL SCF CALCULATIONS .1.
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1977,
11
(04)
: 613
-
625
←
1
2
3
4
→
共 37 条
[1]
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[2]
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
[3]
USE OF MOLECULAR SYMMETRY IN 2-ELECTRON INTEGRAL TRANSFORMATION - AN MP2 PROGRAM COMPATIBLE WITH HONDO-5
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
机构:
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
CARSKY, P
HESS, BA
论文数:
0
引用数:
0
h-index:
0
机构:
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
HESS, BA
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
机构:
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37232 USA
SCHAAD, LJ
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1984,
5
(03)
: 280
-
287
[4]
ON FINDING TRANSITION-STATES
CERJAN, CJ
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
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
CERJAN, CJ
MILLER, WH
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
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
MILLER, WH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(06)
: 2800
-
2806
[5]
ELECTRONIC REARRANGEMENTS DURING CHEMICAL-REACTIONS .2. PLANAR DISSOCIATION OF ETHYLENE
CHEUNG, LM
论文数:
0
引用数:
0
h-index:
0
机构:
US DOE,AMES LAB,AMES,IA 50011
CHEUNG, LM
SUNDBERG, KR
论文数:
0
引用数:
0
h-index:
0
机构:
US DOE,AMES LAB,AMES,IA 50011
SUNDBERG, KR
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
机构:
US DOE,AMES LAB,AMES,IA 50011
RUEDENBERG, K
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1979,
16
(05)
: 1103
-
1139
[6]
SPIN-RESTRICTED OPEN-SHELL SELF-CONSISTENT-FIELD THEORY
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,CHEM DEPT,SEATTLE,WA 98195
UNIV WASHINGTON,CHEM DEPT,SEATTLE,WA 98195
DAVIDSON, ER
[J].
CHEMICAL PHYSICS LETTERS,
1973,
21
(03)
: 565
-
567
[7]
ELECTRONIC-STRUCTURE OF VINOXY RADICAL CH2CHO
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
DUPUIS, M
WENDOLOSKI, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
WENDOLOSKI, JJ
LESTER, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
LESTER, WA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(01)
: 488
-
492
[8]
FORMALDEHYDE - ABINITIO MCSCF+CL TRANSITION-STATE FOR H2CO-]CO+ H-2 ON THE S0 SURFACE
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,SAN JOSE,CA 95193
IBM CORP,SAN JOSE,CA 95193
DUPUIS, M
LESTER, WA
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,SAN JOSE,CA 95193
IBM CORP,SAN JOSE,CA 95193
LESTER, WA
LENGSFIELD, BH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,SAN JOSE,CA 95193
IBM CORP,SAN JOSE,CA 95193
LENGSFIELD, BH
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,SAN JOSE,CA 95193
IBM CORP,SAN JOSE,CA 95193
LIU, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(12)
: 6167
-
6173
[9]
SYSTEMATIC GVB STUDY OF HARMONIC VIBRATIONAL FREQUENCIES AND DIPOLE-MOMENT DERIVATIVES - THE VINYL RADICAL C2H3 AND OTHER SIMPLE MOLECULES
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
DUPUIS, M
WENDOLOSKI, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
WENDOLOSKI, JJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(11)
: 5696
-
5702
[10]
MOLECULAR SYMMETRY AND CLOSED-SHELL SCF CALCULATIONS .1.
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1977,
11
(04)
: 613
-
625
←
1
2
3
4
→