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SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS
被引:8229
作者
:
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
FRISCH, MJ
[
1
]
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
POPLE, JA
[
1
]
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
BINKLEY, JS
[
1
]
机构
:
[1]
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1984年
/ 80卷
/ 07期
关键词
:
D O I
:
10.1063/1.447079
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:3265 / 3269
页数:5
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SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
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1980,
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MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
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CLARK T, IN PRESS
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CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
LUKE, BT
POPLE, JA
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0
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CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
POPLE, JA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(17)
: 3279
-
3282
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
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HEHRE, WJ
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[10]
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←
1
2
→
共 19 条
[1]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[2]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
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机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
[3]
BINKLEY JS, UNPUB J CHEM PHYS
[4]
JANAF THERMOCHEMICAL TABLES, 1982 SUPPLEMENT
CHASE, MW
论文数:
0
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h-index:
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CHASE, MW
CURNUTT, JL
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h-index:
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CURNUTT, JL
DOWNEY, JR
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h-index:
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DOWNEY, JR
MCDONALD, RA
论文数:
0
引用数:
0
h-index:
0
MCDONALD, RA
SYVERUD, AN
论文数:
0
引用数:
0
h-index:
0
SYVERUD, AN
VALENZUELA, EA
论文数:
0
引用数:
0
h-index:
0
VALENZUELA, EA
[J].
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA,
1982,
11
(03)
: 695
-
940
[5]
CLARK T, IN PRESS
[6]
DEFREES DJ, 1980, J AM CHEM SOC, V102, P2513, DOI 10.1021/ja00527a602
[7]
ABINITIO COMPUTATION OF THE ENTHALPIES OF SOME GAS-PHASE HYDRATION REACTIONS
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
DELBENE, JE
METTEE, HD
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
METTEE, HD
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
FRISCH, MJ
LUKE, BT
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
LUKE, BT
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
POPLE, JA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(17)
: 3279
-
3282
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[9]
DUNNING TH, 1977, MODERN THEORETICAL C, V3, pCH1
[10]
FRISCH MJ, 1982, CHEM PHYS LETT, V83, P240
←
1
2
→