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ABINITIO CALCULATIONS ON LARGE MOLECULES - THE MULTIPLICATIVE INTEGRAL APPROXIMATION
被引:243
作者
:
VANALSENOY, C
论文数:
0
引用数:
0
h-index:
0
VANALSENOY, C
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1988年
/ 9卷
/ 06期
关键词
:
D O I
:
10.1002/jcc.540090607
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:620 / 626
页数:7
相关论文
共 27 条
[1]
PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
ALMLOF, J
FAEGRI, K
论文数:
0
引用数:
0
h-index:
0
FAEGRI, K
KORSELL, K
论文数:
0
引用数:
0
h-index:
0
KORSELL, K
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1982,
3
(03)
: 385
-
399
[2]
Almlof J., 1984, ADV THEORIES COMPUTA, P107, DOI 10.1007/978-94-009-6451-8
[3]
LIMITED EXPANSION OF DIATOMIC OVERLAP (LEDO) - NEAR-ACCURATE APPROXIMATE AB-INITIO LCAO MO METHOD .1. THEORY AND PRELIMINARY INVESTIGATIONS
BILLINGS.FP
论文数:
0
引用数:
0
h-index:
0
BILLINGS.FP
BLOOR, JE
论文数:
0
引用数:
0
h-index:
0
BLOOR, JE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(11)
: 5178
-
&
[4]
BOYS SF, 1959, WISAF13 U WISC REPT
[5]
A SYSTEMATIC CLASSIFICATION OF ATOMIC INTEGRALS IN ABINITIO MOLECULAR-ORBITAL CALCULATIONS .1. THE CORE VALENCE APPROXIMATION MOLECULAR-ORBITAL METHOD
CAMPBELL, JC
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
CAMPBELL, JC
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
HILLIER, IH
SAUNDERS, VR
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SAUNDERS, VR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(07)
: 3971
-
3976
[6]
ALTERNATIVE TO PSEUDOPOTENTIALS - CORE-VALENCE APPROXIMATION SCHEME FOR MOLECULAR CALCULATIONS
CAMPBELL, JC
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
CAMPBELL, JC
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
HILLIER, IH
SAUNDERS, VR
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SAUNDERS, VR
[J].
CHEMICAL PHYSICS LETTERS,
1980,
69
(02)
: 219
-
221
[7]
COMPUTATION OF LARGE MOLECULES WITH HARTREE-FOCK MODEL
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
1972,
69
(10)
: 2942
-
&
[8]
Clementi E, 1972, SELECTED TOPICS MOL, P199
[9]
AN UNCONVENTIONAL SCF METHOD FOR CALCULATIONS ON LARGE MOLECULES
CREMER, D
论文数:
0
引用数:
0
h-index:
0
CREMER, D
GAUSS, J
论文数:
0
引用数:
0
h-index:
0
GAUSS, J
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1986,
7
(03)
: 274
-
282
[10]
EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
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
RYS, J
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
RYS, J
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].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(01)
: 111
-
116
←
1
2
3
→
共 27 条
[1]
PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
ALMLOF, J
FAEGRI, K
论文数:
0
引用数:
0
h-index:
0
FAEGRI, K
KORSELL, K
论文数:
0
引用数:
0
h-index:
0
KORSELL, K
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1982,
3
(03)
: 385
-
399
[2]
Almlof J., 1984, ADV THEORIES COMPUTA, P107, DOI 10.1007/978-94-009-6451-8
[3]
LIMITED EXPANSION OF DIATOMIC OVERLAP (LEDO) - NEAR-ACCURATE APPROXIMATE AB-INITIO LCAO MO METHOD .1. THEORY AND PRELIMINARY INVESTIGATIONS
BILLINGS.FP
论文数:
0
引用数:
0
h-index:
0
BILLINGS.FP
BLOOR, JE
论文数:
0
引用数:
0
h-index:
0
BLOOR, JE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(11)
: 5178
-
&
[4]
BOYS SF, 1959, WISAF13 U WISC REPT
[5]
A SYSTEMATIC CLASSIFICATION OF ATOMIC INTEGRALS IN ABINITIO MOLECULAR-ORBITAL CALCULATIONS .1. THE CORE VALENCE APPROXIMATION MOLECULAR-ORBITAL METHOD
CAMPBELL, JC
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
CAMPBELL, JC
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
HILLIER, IH
SAUNDERS, VR
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SAUNDERS, VR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(07)
: 3971
-
3976
[6]
ALTERNATIVE TO PSEUDOPOTENTIALS - CORE-VALENCE APPROXIMATION SCHEME FOR MOLECULAR CALCULATIONS
CAMPBELL, JC
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
CAMPBELL, JC
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
HILLIER, IH
SAUNDERS, VR
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
SAUNDERS, VR
[J].
CHEMICAL PHYSICS LETTERS,
1980,
69
(02)
: 219
-
221
[7]
COMPUTATION OF LARGE MOLECULES WITH HARTREE-FOCK MODEL
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
1972,
69
(10)
: 2942
-
&
[8]
Clementi E, 1972, SELECTED TOPICS MOL, P199
[9]
AN UNCONVENTIONAL SCF METHOD FOR CALCULATIONS ON LARGE MOLECULES
CREMER, D
论文数:
0
引用数:
0
h-index:
0
CREMER, D
GAUSS, J
论文数:
0
引用数:
0
h-index:
0
GAUSS, J
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1986,
7
(03)
: 274
-
282
[10]
EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
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
RYS, J
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
RYS, J
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].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(01)
: 111
-
116
←
1
2
3
→