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UNIFORM QUALITY GAUSSIAN BASIS SETS
被引:46
作者
:
MEZEY, PG
论文数:
0
引用数:
0
h-index:
0
机构:
LAURENTIAN UNIV,DEPT CHEM,SUDBURY,ONTARIO,CANADA
MEZEY, PG
KARI, RE
论文数:
0
引用数:
0
h-index:
0
机构:
LAURENTIAN UNIV,DEPT CHEM,SUDBURY,ONTARIO,CANADA
KARI, RE
CSIZMADIA, IG
论文数:
0
引用数:
0
h-index:
0
机构:
LAURENTIAN UNIV,DEPT CHEM,SUDBURY,ONTARIO,CANADA
CSIZMADIA, IG
机构
:
[1]
LAURENTIAN UNIV,DEPT CHEM,SUDBURY,ONTARIO,CANADA
[2]
UNIV TORONTO,DEPT CHEM,TORONTO,ONTARIO,CANADA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1977年
/ 66卷
/ 03期
关键词
:
D O I
:
10.1063/1.434005
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:964 / 969
页数:6
相关论文
共 31 条
[1]
EVEN-TEMPERED ATOMIC ORBITALS .3. ECONOMIC DEPLOYMENT OF GAUSSIAN PRIMITIVES IN EXPANDING ATOMIC SCF ORBITALS
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,
1973,
59
(11)
: 5956
-
5965
[2]
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
[3]
EVEN-TEMPERED ATOMIC ORBITALS .4. ATOMIC ORBITAL BASES WITH PSEUDOSCALING CAPABILITY FOR MOLECULAR CALCULATIONS
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,
1973,
59
(11)
: 5966
-
5977
[4]
EVEN-TEMPERED ATOMIC ORBITALS .7. THEORETICAL EQUILIBRIUM GEOMETRIES AND REACTION ENERGIES FOR CARBON SUBOXIDE AND OTHER MOLECULES CONTAINING CARBON, OXYGEN, AND HYDROGEN
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)
: 932
-
936
[5]
ELECTRONIC STATES OF AMIDE GROUP
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(04)
: 1201
-
&
[6]
GAUSSIAN-ORBITAL BASIS SETS FOR FIRST-ROW TRANSITION-METAL ATOMS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(04)
: 1311
-
+
[7]
SMALL GAUSSIAN BASIS SETS FOR SECOND-ROW ATOMS
CLAXTON, TA
论文数:
0
引用数:
0
h-index:
0
CLAXTON, TA
SMITH, NA
论文数:
0
引用数:
0
h-index:
0
SMITH, NA
[J].
THEORETICA CHIMICA ACTA,
1971,
22
(04):
: 378
-
&
[8]
Davidon W. C., 1959, ANL5990 AEC RES DEV
[9]
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
-
+
[10]
SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS
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,
1970,
52
(10)
: 5001
-
+
←
1
2
3
4
→
共 31 条
[1]
EVEN-TEMPERED ATOMIC ORBITALS .3. ECONOMIC DEPLOYMENT OF GAUSSIAN PRIMITIVES IN EXPANDING ATOMIC SCF ORBITALS
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,
1973,
59
(11)
: 5956
-
5965
[2]
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
[3]
EVEN-TEMPERED ATOMIC ORBITALS .4. ATOMIC ORBITAL BASES WITH PSEUDOSCALING CAPABILITY FOR MOLECULAR CALCULATIONS
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,
1973,
59
(11)
: 5966
-
5977
[4]
EVEN-TEMPERED ATOMIC ORBITALS .7. THEORETICAL EQUILIBRIUM GEOMETRIES AND REACTION ENERGIES FOR CARBON SUBOXIDE AND OTHER MOLECULES CONTAINING CARBON, OXYGEN, AND HYDROGEN
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)
: 932
-
936
[5]
ELECTRONIC STATES OF AMIDE GROUP
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(04)
: 1201
-
&
[6]
GAUSSIAN-ORBITAL BASIS SETS FOR FIRST-ROW TRANSITION-METAL ATOMS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(04)
: 1311
-
+
[7]
SMALL GAUSSIAN BASIS SETS FOR SECOND-ROW ATOMS
CLAXTON, TA
论文数:
0
引用数:
0
h-index:
0
CLAXTON, TA
SMITH, NA
论文数:
0
引用数:
0
h-index:
0
SMITH, NA
[J].
THEORETICA CHIMICA ACTA,
1971,
22
(04):
: 378
-
&
[8]
Davidon W. C., 1959, ANL5990 AEC RES DEV
[9]
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
-
+
[10]
SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS
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,
1970,
52
(10)
: 5001
-
+
←
1
2
3
4
→