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CORRELATION ENERGY CONTRIBUTIONS TO REACTION HEATS
被引:21
作者
:
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
GEORGE, P
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
TRACHTMAN, M
BRETT, AM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
BRETT, AM
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
BOCK, CW
机构
:
[1]
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19174
[2]
WEIZMANN INST SCI,DEPT CHEM,REHOVOTH,ISRAEL
[3]
PHILADELPHIA COLL TEXT & SCI,DEPT CHEM,PHILADELPHIA,PA 19144
来源
:
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
|
1977年
/ 12卷
/ 01期
关键词
:
D O I
:
10.1002/qua.560120107
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:61 / 81
页数:21
相关论文
共 62 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]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(02)
: 614
-
&
[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]
AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - HYDROCARBON CHARACTERIZATIONS
CHRISTOF.RE
论文数:
0
引用数:
0
h-index:
0
CHRISTOF.RE
GENSON, DW
论文数:
0
引用数:
0
h-index:
0
GENSON, DW
MAGGIORA, GM
论文数:
0
引用数:
0
h-index:
0
MAGGIORA, GM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(01)
: 239
-
&
[5]
AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - BENZENE AND NAPHTHALENE ISOMER CHARACTERIZATIONS AND AROMATICITY CONSIDERATIONS
CHRISTOFFERSEN, RE
论文数:
0
引用数:
0
h-index:
0
CHRISTOFFERSEN, RE
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(17)
: 4104
-
+
[6]
CORRELATION ENERGY IN CH4 MOLECULE
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(02)
: 487
-
&
[7]
CORRELATION ENERGY FOR ATOMIC SYSTEMS
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
38
(09)
: 2248
-
&
[8]
STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .16. ANALYSIS OF FORMATION OF METHANE MOLECULE IN HARTREE-FOCK MODEL
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
POPKIE, H
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(12)
: 4057
-
&
[9]
STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .17. ANALYSIS OF FORMATION OF ACETYLENE, ETHYLENE, AND ETHANE MOLECULES IN HARTREE-FOCK MODEL
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
POPKIE, H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(11)
: 4870
-
&
[10]
ELECTRONIC STRUCTURE IN AROMATIC COMPOUNDS
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
CHEMICAL REVIEWS,
1968,
68
(03)
: 341
-
&
←
1
2
3
4
5
6
7
→
共 62 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]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(02)
: 614
-
&
[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]
AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - HYDROCARBON CHARACTERIZATIONS
CHRISTOF.RE
论文数:
0
引用数:
0
h-index:
0
CHRISTOF.RE
GENSON, DW
论文数:
0
引用数:
0
h-index:
0
GENSON, DW
MAGGIORA, GM
论文数:
0
引用数:
0
h-index:
0
MAGGIORA, GM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(01)
: 239
-
&
[5]
AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - BENZENE AND NAPHTHALENE ISOMER CHARACTERIZATIONS AND AROMATICITY CONSIDERATIONS
CHRISTOFFERSEN, RE
论文数:
0
引用数:
0
h-index:
0
CHRISTOFFERSEN, RE
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(17)
: 4104
-
+
[6]
CORRELATION ENERGY IN CH4 MOLECULE
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(02)
: 487
-
&
[7]
CORRELATION ENERGY FOR ATOMIC SYSTEMS
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
38
(09)
: 2248
-
&
[8]
STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .16. ANALYSIS OF FORMATION OF METHANE MOLECULE IN HARTREE-FOCK MODEL
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
POPKIE, H
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(12)
: 4057
-
&
[9]
STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .17. ANALYSIS OF FORMATION OF ACETYLENE, ETHYLENE, AND ETHANE MOLECULES IN HARTREE-FOCK MODEL
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
POPKIE, H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(11)
: 4870
-
&
[10]
ELECTRONIC STRUCTURE IN AROMATIC COMPOUNDS
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
CHEMICAL REVIEWS,
1968,
68
(03)
: 341
-
&
←
1
2
3
4
5
6
7
→