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METHANE AS A NUMERICAL EXPERIMENT FOR POLARIZATION BASIS FUNCTION SELECTION
被引:69
作者
:
ROTHENBERG, S
论文数:
0
引用数:
0
h-index:
0
ROTHENBERG, S
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1971年
/ 54卷
/ 06期
关键词
:
D O I
:
10.1063/1.1675248
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:2764 / +
页数:1
相关论文
共 18 条
[1]
SCF-MOS AND MOLECULAR PROPERTIES OF METHANE
[J].
ARRIGHINI, GP
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istitulo di Chimica-Fisica, Dell'Universito di Pisa, 56100 Pisa
ARRIGHINI, GP
;
GUIDOTTI, C
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istitulo di Chimica-Fisica, Dell'Universito di Pisa, 56100 Pisa
GUIDOTTI, C
;
MAESTRO, M
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istitulo di Chimica-Fisica, Dell'Universito di Pisa, 56100 Pisa
MAESTRO, M
;
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istitulo di Chimica-Fisica, Dell'Universito di Pisa, 56100 Pisa
MOCCIA, R
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istitulo di Chimica-Fisica, Dell'Universito di Pisa, 56100 Pisa
SALVETTI, O
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(05)
:2224
-+
[2]
ELECTRONIC SPECTRA OF ISOELECTRONIC AMIDES ACIDS AND ACYL FLUORIDES
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Laboratories. Incorporated, Murray Hill, NJ
BASCH, H
;
ROBIN, MB
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Laboratories. Incorporated, Murray Hill, NJ
ROBIN, MB
;
KUEBLER, NA
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Laboratories. Incorporated, Murray Hill, NJ
KUEBLER, NA
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(11)
:5007
-&
[3]
ELECTRONIC STATES OF AMIDE GROUP
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
;
ROBIN, MB
论文数:
0
引用数:
0
h-index:
0
ROBIN, MB
;
KUEBLER, NA
论文数:
0
引用数:
0
h-index:
0
KUEBLER, NA
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(04)
:1201
-&
[4]
GAUSSIAN-ORBITAL BASIS SETS FOR FIRST-ROW TRANSITION-METAL ATOMS
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
BASCH, H
;
HORNBACK, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
HORNBACK, CJ
;
MOSKOWITZ, JW
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
MOSKOWITZ, JW
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(04)
:1311
-+
[5]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
[J].
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
;
HUO, WM
论文数:
0
引用数:
0
h-index:
0
HUO, WM
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(02)
:614
-&
[6]
CADE PE, 1967, J CHEM PHYS, V47, P649, DOI 10.1063/1.1711939
[7]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(05)
:1973
-&
[8]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
[J].
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
;
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
:2657
-+
[10]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
:1293
-&
←
1
2
→
共 18 条
[1]
SCF-MOS AND MOLECULAR PROPERTIES OF METHANE
[J].
ARRIGHINI, GP
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istitulo di Chimica-Fisica, Dell'Universito di Pisa, 56100 Pisa
ARRIGHINI, GP
;
GUIDOTTI, C
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istitulo di Chimica-Fisica, Dell'Universito di Pisa, 56100 Pisa
GUIDOTTI, C
;
MAESTRO, M
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istitulo di Chimica-Fisica, Dell'Universito di Pisa, 56100 Pisa
MAESTRO, M
;
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istitulo di Chimica-Fisica, Dell'Universito di Pisa, 56100 Pisa
MOCCIA, R
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istitulo di Chimica-Fisica, Dell'Universito di Pisa, 56100 Pisa
SALVETTI, O
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(05)
:2224
-+
[2]
ELECTRONIC SPECTRA OF ISOELECTRONIC AMIDES ACIDS AND ACYL FLUORIDES
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Laboratories. Incorporated, Murray Hill, NJ
BASCH, H
;
ROBIN, MB
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Laboratories. Incorporated, Murray Hill, NJ
ROBIN, MB
;
KUEBLER, NA
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Laboratories. Incorporated, Murray Hill, NJ
KUEBLER, NA
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(11)
:5007
-&
[3]
ELECTRONIC STATES OF AMIDE GROUP
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
;
ROBIN, MB
论文数:
0
引用数:
0
h-index:
0
ROBIN, MB
;
KUEBLER, NA
论文数:
0
引用数:
0
h-index:
0
KUEBLER, NA
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(04)
:1201
-&
[4]
GAUSSIAN-ORBITAL BASIS SETS FOR FIRST-ROW TRANSITION-METAL ATOMS
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
BASCH, H
;
HORNBACK, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
HORNBACK, CJ
;
MOSKOWITZ, JW
论文数:
0
引用数:
0
h-index:
0
机构:
Scientific Laboratory, Ford Motor Company, Dearborn
MOSKOWITZ, JW
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(04)
:1311
-+
[5]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
[J].
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
;
HUO, WM
论文数:
0
引用数:
0
h-index:
0
HUO, WM
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(02)
:614
-&
[6]
CADE PE, 1967, J CHEM PHYS, V47, P649, DOI 10.1063/1.1711939
[7]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(05)
:1973
-&
[8]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
[J].
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
;
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
:2657
-+
[10]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
:1293
-&
←
1
2
→