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MOLECULAR-ORBITAL THEORY OF THE PROPERTIES OF INORGANIC AND ORGANOMETALLIC COMPOUNDS .3. STO-3G BASIS-SETS FOR 1ST-ROW AND 2ND-ROW TRANSITION-METALS
被引:121
作者
:
PIETRO, WJ
论文数:
0
引用数:
0
h-index:
0
PIETRO, WJ
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1983年
/ 4卷
/ 02期
关键词
:
D O I
:
10.1002/jcc.540040215
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:241 / 251
页数:11
相关论文
共 69 条
[1]
CHEMICAL BONDING AND REACTIVITY IN NICKEL-ETHENE COMPLEXES - ABINITIO MO-SCF STUDY
AKERMARK, B
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
AKERMARK, B
ALMEMARK, M
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ALMEMARK, M
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ALMLOF, J
BACKVALL, JE
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
BACKVALL, JE
ROOS, B
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ROOS, B
STOGARD, A
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
STOGARD, A
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(14)
: 4617
-
4624
[2]
BACHMANN C, 1978, GAZZ CHIM ITAL, V108, P389
[3]
ELECTRONIC-STRUCTURE OF SILVER (1+)-ETHYLENE COMPLEX
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(01)
: 441
-
&
[4]
A MOLECULAR ORBITAL DESCRIPTION OF TCH92-
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Laboratories, Inc., Murray Hill, NJ
BASCH, H
GINSBERG, AP
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Laboratories, Inc., Murray Hill, NJ
GINSBERG, AP
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1969,
73
(04)
: 854
-
&
[5]
RELATIVISTIC EFFECTS IN ABINITIO EFFECTIVE CORE POTENTIAL STUDIES OF HEAVY-METAL COMPOUNDS - APPLICATION TO HGCL2, AUCL, AND PTH
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
BASCH, H
TOPIOL, S
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
TOPIOL, S
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(02)
: 802
-
814
[6]
ELECTRONIC-STRUCTURE AND PHOTOELECTRON-SPECTRUM OF TRIS(PI-ALLYL)CHROMIUM, CR(ETA-3-C3H5)3
BERRY, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
BERRY, M
GARNER, CD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,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,LANCASHIRE,ENGLAND
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
HILLIER, IH
MACDOWELL, AA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
MACDOWELL, AA
[J].
INORGANIC CHEMISTRY,
1981,
20
(07)
: 1962
-
1965
[7]
INTERACTION BETWEEN MATRIX-ISOLATED NICKEL DIFLUORIDE AND CARBON-MONOXIDE - ABINITIO MOLECULAR-ORBITAL STUDY
BESNAINOU, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
BESNAINOU, S
WHITTEN, JL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
WHITTEN, JL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(12)
: 3692
-
3698
[8]
MODEL TRANSITION METAL-CARBENE SYSTEM MNCH2
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DEPT CHEM,BERKELEY,CA 94720
BROOKS, BR
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DEPT CHEM,BERKELEY,CA 94720
SCHAEFER, HF
[J].
MOLECULAR PHYSICS,
1977,
34
(01)
: 193
-
213
[9]
CALOMON HJ, 1976, STRUCTURE DATA FREE, V7
[10]
THEORETICAL INVESTIGATION OF GROUND AND CORE HOLE STATES OF LINEAR AND BENT NICO - PROTOTYPE FOR CO ADSORBED ON NICKEL
CLARK, DT
论文数:
0
引用数:
0
h-index:
0
CLARK, DT
CROMARTY, BJ
论文数:
0
引用数:
0
h-index:
0
CROMARTY, BJ
SGAMELLOTTI, A
论文数:
0
引用数:
0
h-index:
0
SGAMELLOTTI, A
[J].
CHEMICAL PHYSICS LETTERS,
1978,
55
(03)
: 482
-
487
←
1
2
3
4
5
6
7
→
共 69 条
[1]
CHEMICAL BONDING AND REACTIVITY IN NICKEL-ETHENE COMPLEXES - ABINITIO MO-SCF STUDY
AKERMARK, B
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
AKERMARK, B
ALMEMARK, M
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ALMEMARK, M
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ALMLOF, J
BACKVALL, JE
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
BACKVALL, JE
ROOS, B
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
ROOS, B
STOGARD, A
论文数:
0
引用数:
0
h-index:
0
机构:
ROYAL INST TECHNOL,DEPT ORGAN CHEM,S-10044 STOCKHOLM 70,SWEDEN
STOGARD, A
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(14)
: 4617
-
4624
[2]
BACHMANN C, 1978, GAZZ CHIM ITAL, V108, P389
[3]
ELECTRONIC-STRUCTURE OF SILVER (1+)-ETHYLENE COMPLEX
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(01)
: 441
-
&
[4]
A MOLECULAR ORBITAL DESCRIPTION OF TCH92-
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Laboratories, Inc., Murray Hill, NJ
BASCH, H
GINSBERG, AP
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Laboratories, Inc., Murray Hill, NJ
GINSBERG, AP
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1969,
73
(04)
: 854
-
&
[5]
RELATIVISTIC EFFECTS IN ABINITIO EFFECTIVE CORE POTENTIAL STUDIES OF HEAVY-METAL COMPOUNDS - APPLICATION TO HGCL2, AUCL, AND PTH
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
BASCH, H
TOPIOL, S
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Bar Ilan University, Ramat Gan
TOPIOL, S
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(02)
: 802
-
814
[6]
ELECTRONIC-STRUCTURE AND PHOTOELECTRON-SPECTRUM OF TRIS(PI-ALLYL)CHROMIUM, CR(ETA-3-C3H5)3
BERRY, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
BERRY, M
GARNER, CD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,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,LANCASHIRE,ENGLAND
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
HILLIER, IH
MACDOWELL, AA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND
MACDOWELL, AA
[J].
INORGANIC CHEMISTRY,
1981,
20
(07)
: 1962
-
1965
[7]
INTERACTION BETWEEN MATRIX-ISOLATED NICKEL DIFLUORIDE AND CARBON-MONOXIDE - ABINITIO MOLECULAR-ORBITAL STUDY
BESNAINOU, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
BESNAINOU, S
WHITTEN, JL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
WHITTEN, JL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(12)
: 3692
-
3698
[8]
MODEL TRANSITION METAL-CARBENE SYSTEM MNCH2
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DEPT CHEM,BERKELEY,CA 94720
BROOKS, BR
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DEPT CHEM,BERKELEY,CA 94720
SCHAEFER, HF
[J].
MOLECULAR PHYSICS,
1977,
34
(01)
: 193
-
213
[9]
CALOMON HJ, 1976, STRUCTURE DATA FREE, V7
[10]
THEORETICAL INVESTIGATION OF GROUND AND CORE HOLE STATES OF LINEAR AND BENT NICO - PROTOTYPE FOR CO ADSORBED ON NICKEL
CLARK, DT
论文数:
0
引用数:
0
h-index:
0
CLARK, DT
CROMARTY, BJ
论文数:
0
引用数:
0
h-index:
0
CROMARTY, BJ
SGAMELLOTTI, A
论文数:
0
引用数:
0
h-index:
0
SGAMELLOTTI, A
[J].
CHEMICAL PHYSICS LETTERS,
1978,
55
(03)
: 482
-
487
←
1
2
3
4
5
6
7
→