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THE WELL-TEMPERED GTF BASIS-SETS AND THEIR APPLICATIONS IN THE SCF CALCULATIONS ON N-2, CO, NA-2, AND P-2
被引:133
作者
:
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
机构:
HOKKAIDO UNIV,CATALYSIS RES INST,SAPPORO,HOKKAIDO 060,JAPAN
HOKKAIDO UNIV,CATALYSIS RES INST,SAPPORO,HOKKAIDO 060,JAPAN
HUZINAGA, S
[
1
]
KLOBUKOWSKI, M
论文数:
0
引用数:
0
h-index:
0
机构:
HOKKAIDO UNIV,CATALYSIS RES INST,SAPPORO,HOKKAIDO 060,JAPAN
HOKKAIDO UNIV,CATALYSIS RES INST,SAPPORO,HOKKAIDO 060,JAPAN
KLOBUKOWSKI, M
[
1
]
TATEWAKI, H
论文数:
0
引用数:
0
h-index:
0
机构:
HOKKAIDO UNIV,CATALYSIS RES INST,SAPPORO,HOKKAIDO 060,JAPAN
HOKKAIDO UNIV,CATALYSIS RES INST,SAPPORO,HOKKAIDO 060,JAPAN
TATEWAKI, H
[
1
]
机构
:
[1]
HOKKAIDO UNIV,CATALYSIS RES INST,SAPPORO,HOKKAIDO 060,JAPAN
来源
:
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
|
1985年
/ 63卷
/ 07期
关键词
:
D O I
:
10.1139/v85-302
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:1812 / 1828
页数:17
相关论文
共 24 条
[1]
EVEN-TEMPERED ATOMIC ORBITALS .6. OPTIMAL ORBITAL EXPONENTS AND OPTIMAL CONTRACTIONS OF GAUSSIAN PRIMITIVES FOR HYDROGEN, CARBON, AND OXYGEN IN MOLECULES
BARDO, RD
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV, DEPT CHEM, AMES, IA 50010 USA
BARDO, RD
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV, DEPT CHEM, AMES, IA 50010 USA
RUEDENBERG, K
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(03)
: 918
-
931
[2]
STARK EFFECT FROM 1.1 TO 2.6 MILLIMETERS WAVELENGTH - PH3, PD3, DI, AND CO
BURRUS, CA
论文数:
0
引用数:
0
h-index:
0
BURRUS, CA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1958,
28
(03)
: 427
-
429
[3]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
SALES, KD
论文数:
0
引用数:
0
h-index:
0
SALES, KD
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(05)
: 1973
-
&
[4]
CLEMENTI E, 1982, GEOMETRICAL BASIS SE
[5]
ELBERT ST, 1980, QH01 NAT RES COMP CH, V1
[6]
Gaydon A.G., 1953, DISSOCIATION ENERGIE
[7]
HERZBERG G, 1967, SPECTRA DIATOMIC MOL
[8]
HIGUCHI J, 1985, BASIC THEORIES QUANT
[9]
ELECTRONIC STRUCTURE OF CO AND BF
HUO, WM
论文数:
0
引用数:
0
h-index:
0
HUO, WM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(02)
: 624
-
&
[10]
MOLECULAR ELECTRONIC-STRUCTURE OF THE LOWEST 1-SIGMA-G+, 3-SIGMA-U+, 1-SIGMA-U+, 3-SIGMA-G+, 1-PI-U, 1-PI-G, 1-PI-U, AND 3-PI-G STATES OF NA-2
KONOWALOW, DD
论文数:
0
引用数:
0
h-index:
0
KONOWALOW, DD
ROSENKRANTZ, ME
论文数:
0
引用数:
0
h-index:
0
ROSENKRANTZ, ME
OLSON, ML
论文数:
0
引用数:
0
h-index:
0
OLSON, ML
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(04)
: 2612
-
2615
←
1
2
3
→
共 24 条
[1]
EVEN-TEMPERED ATOMIC ORBITALS .6. OPTIMAL ORBITAL EXPONENTS AND OPTIMAL CONTRACTIONS OF GAUSSIAN PRIMITIVES FOR HYDROGEN, CARBON, AND OXYGEN IN MOLECULES
BARDO, RD
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV, DEPT CHEM, AMES, IA 50010 USA
BARDO, RD
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV, DEPT CHEM, AMES, IA 50010 USA
RUEDENBERG, K
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(03)
: 918
-
931
[2]
STARK EFFECT FROM 1.1 TO 2.6 MILLIMETERS WAVELENGTH - PH3, PD3, DI, AND CO
BURRUS, CA
论文数:
0
引用数:
0
h-index:
0
BURRUS, CA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1958,
28
(03)
: 427
-
429
[3]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
SALES, KD
论文数:
0
引用数:
0
h-index:
0
SALES, KD
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(05)
: 1973
-
&
[4]
CLEMENTI E, 1982, GEOMETRICAL BASIS SE
[5]
ELBERT ST, 1980, QH01 NAT RES COMP CH, V1
[6]
Gaydon A.G., 1953, DISSOCIATION ENERGIE
[7]
HERZBERG G, 1967, SPECTRA DIATOMIC MOL
[8]
HIGUCHI J, 1985, BASIC THEORIES QUANT
[9]
ELECTRONIC STRUCTURE OF CO AND BF
HUO, WM
论文数:
0
引用数:
0
h-index:
0
HUO, WM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(02)
: 624
-
&
[10]
MOLECULAR ELECTRONIC-STRUCTURE OF THE LOWEST 1-SIGMA-G+, 3-SIGMA-U+, 1-SIGMA-U+, 3-SIGMA-G+, 1-PI-U, 1-PI-G, 1-PI-U, AND 3-PI-G STATES OF NA-2
KONOWALOW, DD
论文数:
0
引用数:
0
h-index:
0
KONOWALOW, DD
ROSENKRANTZ, ME
论文数:
0
引用数:
0
h-index:
0
ROSENKRANTZ, ME
OLSON, ML
论文数:
0
引用数:
0
h-index:
0
OLSON, ML
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(04)
: 2612
-
2615
←
1
2
3
→