首页
学术期刊
论文检测
AIGC检测
热点
更多
数据
GENERALIZED-MOLECULAR-ORBITAL THEORY - SIMPLE MULTICONFIGURATION SELF-CONSISTENT-FIELD METHOD
被引:21
作者
:
HALL, MB
论文数:
0
引用数:
0
h-index:
0
HALL, MB
机构
:
来源
:
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
|
1978年
/ 14卷
/ 05期
关键词
:
D O I
:
10.1002/qua.560140508
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:613 / 621
页数:9
相关论文
共 27 条
[1]
BENARD M, 1977, NOUV J CHIM, V1, P97
[2]
THEORETICAL-STUDY OF METAL-METAL INTERACTION IN BINUCLEAR COMPLEXES OF TRANSITION GROUP-6 AND GROUP-7
[J].
BENARD, M
论文数:
0
引用数:
0
h-index:
0
BENARD, M
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(08)
:2354
-2362
[3]
ENERGY EXTRAPOLATION IN CI CALCULATIONS
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
PEYERIMHOFF, SD
.
THEORETICA CHIMICA ACTA,
1975,
39
(03)
:217
-228
[4]
ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS
[J].
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
;
RAIMONDI, DL
论文数:
0
引用数:
0
h-index:
0
RAIMONDI, DL
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
38
(11)
:2686
-&
[5]
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
-+
[6]
GENERALIZED VALENCE BOND CALCULATIONS ON GROUND-STATE (X1-SIGMA+(G) OF NITROGEN
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET T-6,LOS ALAMOS,NM 87544
DUNNING, TH
;
CARTWRIGHT, DC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET T-6,LOS ALAMOS,NM 87544
CARTWRIGHT, DC
;
HUNT, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET T-6,LOS ALAMOS,NM 87544
HUNT, WJ
;
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET T-6,LOS ALAMOS,NM 87544
HAY, PJ
;
BOBROWICZ, FW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET T-6,LOS ALAMOS,NM 87544
BOBROWICZ, FW
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(11)
:4755
-4766
[7]
NATURE OF METAL-METAL INTERACTION IN TETRA-MU-CARBOXYLATOCHROMIUM(II) SYSTEMS
[J].
GARNER, CD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
GARNER, CD
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
HILLIER, IH
;
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
GUEST, MF
;
GREEN, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
GREEN, JC
;
COLEMAN, AW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
COLEMAN, AW
.
CHEMICAL PHYSICS LETTERS,
1976,
41
(01)
:91
-94
[8]
GENERALIZED VALENCE BOND DESCRIPTION OF BONDING IN LOW-LYING STATES OF MOLECULES
[J].
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
GODDARD, WA
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
DUNNING, TH
;
HUNT, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
HUNT, WJ
;
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
HAY, PJ
.
ACCOUNTS OF CHEMICAL RESEARCH,
1973,
6
(11)
:368
-376
[9]
CORRELATION EFFECTS AND NATURE OF METAL - METAL BOND IN DI-CHROMIUM AND DI-MOLYBDENUM COMPLEXES
[J].
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD LAB,ATLAS COMP DIV,DIDCOT OX11 OQY,OXFORDSHIRE,ENGLAND
GUEST, MF
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD LAB,ATLAS COMP DIV,DIDCOT OX11 OQY,OXFORDSHIRE,ENGLAND
HILLIER, IH
;
GARNER, CD
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD LAB,ATLAS COMP DIV,DIDCOT OX11 OQY,OXFORDSHIRE,ENGLAND
GARNER, CD
.
CHEMICAL PHYSICS LETTERS,
1977,
48
(03)
:587
-589
[10]
GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS
[J].
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
HAY, PJ
.
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(10)
:4377
-4384
←
1
2
3
→
共 27 条
[1]
BENARD M, 1977, NOUV J CHIM, V1, P97
[2]
THEORETICAL-STUDY OF METAL-METAL INTERACTION IN BINUCLEAR COMPLEXES OF TRANSITION GROUP-6 AND GROUP-7
[J].
BENARD, M
论文数:
0
引用数:
0
h-index:
0
BENARD, M
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(08)
:2354
-2362
[3]
ENERGY EXTRAPOLATION IN CI CALCULATIONS
[J].
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
BUENKER, RJ
;
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER
PEYERIMHOFF, SD
.
THEORETICA CHIMICA ACTA,
1975,
39
(03)
:217
-228
[4]
ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS
[J].
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
;
RAIMONDI, DL
论文数:
0
引用数:
0
h-index:
0
RAIMONDI, DL
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
38
(11)
:2686
-&
[5]
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
-+
[6]
GENERALIZED VALENCE BOND CALCULATIONS ON GROUND-STATE (X1-SIGMA+(G) OF NITROGEN
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET T-6,LOS ALAMOS,NM 87544
DUNNING, TH
;
CARTWRIGHT, DC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET T-6,LOS ALAMOS,NM 87544
CARTWRIGHT, DC
;
HUNT, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET T-6,LOS ALAMOS,NM 87544
HUNT, WJ
;
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET T-6,LOS ALAMOS,NM 87544
HAY, PJ
;
BOBROWICZ, FW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET T-6,LOS ALAMOS,NM 87544
BOBROWICZ, FW
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(11)
:4755
-4766
[7]
NATURE OF METAL-METAL INTERACTION IN TETRA-MU-CARBOXYLATOCHROMIUM(II) SYSTEMS
[J].
GARNER, CD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
GARNER, CD
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
HILLIER, IH
;
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
GUEST, MF
;
GREEN, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
GREEN, JC
;
COLEMAN, AW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
COLEMAN, AW
.
CHEMICAL PHYSICS LETTERS,
1976,
41
(01)
:91
-94
[8]
GENERALIZED VALENCE BOND DESCRIPTION OF BONDING IN LOW-LYING STATES OF MOLECULES
[J].
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
GODDARD, WA
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
DUNNING, TH
;
HUNT, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
HUNT, WJ
;
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
HAY, PJ
.
ACCOUNTS OF CHEMICAL RESEARCH,
1973,
6
(11)
:368
-376
[9]
CORRELATION EFFECTS AND NATURE OF METAL - METAL BOND IN DI-CHROMIUM AND DI-MOLYBDENUM COMPLEXES
[J].
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD LAB,ATLAS COMP DIV,DIDCOT OX11 OQY,OXFORDSHIRE,ENGLAND
GUEST, MF
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD LAB,ATLAS COMP DIV,DIDCOT OX11 OQY,OXFORDSHIRE,ENGLAND
HILLIER, IH
;
GARNER, CD
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD LAB,ATLAS COMP DIV,DIDCOT OX11 OQY,OXFORDSHIRE,ENGLAND
GARNER, CD
.
CHEMICAL PHYSICS LETTERS,
1977,
48
(03)
:587
-589
[10]
GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS
[J].
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
HAY, PJ
.
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(10)
:4377
-4384
←
1
2
3
→