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被引:717
作者
:
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
BANERJEE, A
ADAMS, N
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
ADAMS, N
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
SIMONS, J
SHEPARD, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
SHEPARD, R
机构
:
[1]
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
[2]
ARGONNE NATL LAB,THEORET CHEM GRP,ARGONNE,IL 60439
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1985年
/ 89卷
/ 01期
关键词
:
D O I
:
10.1021/j100247a015
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:52 / 57
页数:6
相关论文
共 13 条
[1]
ADAMS NPG, UNPUB
[2]
CONVERGENCE BEHAVIOR OF SOME MULTICONFIGURATION METHODS
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTION,NEW BRUNSWICK,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTION,NEW BRUNSWICK,CANADA
BANERJEE, A
GREIN, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTION,NEW BRUNSWICK,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTION,NEW BRUNSWICK,CANADA
GREIN, F
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1976,
10
(01)
: 123
-
134
[3]
MC SCF MOLECULAR GRADIENTS AND HESSIANS - COMPUTATIONAL ASPECTS
BANERJEE, A
论文数:
0
引用数:
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h-index:
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机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
BANERJEE, A
JENSEN, JO
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
JENSEN, JO
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
SIMONS, J
SHEPARD, R
论文数:
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引用数:
0
h-index:
0
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ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
SHEPARD, R
[J].
CHEMICAL PHYSICS,
1984,
87
(02)
: 203
-
214
[4]
LOCATING TRANSITION-STATES
BELL, S
论文数:
0
引用数:
0
h-index:
0
BELL, S
CRIGHTON, JS
论文数:
0
引用数:
0
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CRIGHTON, JS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(06)
: 2464
-
2475
[5]
ON FINDING TRANSITION-STATES
CERJAN, CJ
论文数:
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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
[6]
DAVIES M, 1972, NUMERICAL METHODS NO, P191
[7]
Fletcher R., 2013, PRACTICAL METHODS OP
[8]
ABINITIO ANALYTICAL MOLECULAR GRADIENTS AND HESSIANS
JORGENSEN, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
JORGENSEN, P
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
SIMONS, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(01)
: 334
-
357
[9]
LOOTSMA FA, 1972, NUMERICAL METHODS NO
[10]
LOWDIN PO, 1966, 1965 P ADV SEM PERT
←
1
2
→
共 13 条
[1]
ADAMS NPG, UNPUB
[2]
CONVERGENCE BEHAVIOR OF SOME MULTICONFIGURATION METHODS
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTION,NEW BRUNSWICK,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTION,NEW BRUNSWICK,CANADA
BANERJEE, A
GREIN, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTION,NEW BRUNSWICK,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTION,NEW BRUNSWICK,CANADA
GREIN, F
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1976,
10
(01)
: 123
-
134
[3]
MC SCF MOLECULAR GRADIENTS AND HESSIANS - COMPUTATIONAL ASPECTS
BANERJEE, A
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
BANERJEE, A
JENSEN, JO
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
JENSEN, JO
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
SIMONS, J
SHEPARD, R
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
SHEPARD, R
[J].
CHEMICAL PHYSICS,
1984,
87
(02)
: 203
-
214
[4]
LOCATING TRANSITION-STATES
BELL, S
论文数:
0
引用数:
0
h-index:
0
BELL, S
CRIGHTON, JS
论文数:
0
引用数:
0
h-index:
0
CRIGHTON, JS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(06)
: 2464
-
2475
[5]
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
[6]
DAVIES M, 1972, NUMERICAL METHODS NO, P191
[7]
Fletcher R., 2013, PRACTICAL METHODS OP
[8]
ABINITIO ANALYTICAL MOLECULAR GRADIENTS AND HESSIANS
JORGENSEN, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
JORGENSEN, P
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
SIMONS, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(01)
: 334
-
357
[9]
LOOTSMA FA, 1972, NUMERICAL METHODS NO
[10]
LOWDIN PO, 1966, 1965 P ADV SEM PERT
←
1
2
→