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AN MC-SCF STUDY OF [1,3] AND [1,2] SIGMATROPIC SHIFTS IN PROPENE
被引:66
作者
:
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
BERNARDI, F
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
ROBB, MA
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
SCHLEGEL, HB
论文数:
引用数:
h-index:
机构:
TONACHINI, G
机构
:
[1]
WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
[2]
UNIV BOLOGNA,IST CHIM G GIAMICIAN,I-40126 BOLOGNA,ITALY
[3]
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
[4]
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1984年
/ 106卷
/ 05期
关键词
:
D O I
:
10.1021/ja00317a004
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:1198 / 1202
页数:5
相关论文
共 41 条
[1]
NITROSOMETHANE AND ITS NITRONE AND OXIME ISOMERS - A THEORETICAL-STUDY OF 1,2-INTRAMOLECULAR AND 1,3-INTRAMOLECULAR HYDROGEN SHIFTS
ADENEY, PD
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
ADENEY, PD
BOUMA, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
BOUMA, WJ
论文数:
引用数:
h-index:
机构:
RADOM, L
RODWELL, WR
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
RODWELL, WR
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(12)
: 4069
-
4074
[2]
A SIZE CONSISTENT UNITARY-GROUP APPROACH MULTI-REFERENCE LINEAR COUPLED CLUSTER THEORY
BAKER, H
论文数:
0
引用数:
0
h-index:
0
BAKER, H
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
ROBB, MA
[J].
MOLECULAR PHYSICS,
1983,
50
(05)
: 1077
-
1082
[3]
A MULTI-REFERENCE APPROACH TO ENERGY DECOMPOSITION FOR MOLECULAR-INTERACTIONS
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORGAN,BOLOGNA,ITALY
IST CHIM ORGAN,BOLOGNA,ITALY
BERNARDI, F
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORGAN,BOLOGNA,ITALY
IST CHIM ORGAN,BOLOGNA,ITALY
ROBB, MA
[J].
MOLECULAR PHYSICS,
1983,
48
(06)
: 1345
-
1355
[4]
ORBITAL-SYMMETRY FORBIDDEN REACTIONS
BERSON, JA
论文数:
0
引用数:
0
h-index:
0
BERSON, JA
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1972,
5
(12)
: 406
-
&
[5]
GROUND-STATES OF MOLECULES .22. INCORPORATION OF PARTIAL CONFIGURATION INTERACTION IN MINDO/2 AND ITS APPLICATION TO BOND DISSOCIATION ENERGIES AND SIGMATROPIC REARRANGEMENTS
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(26)
: 9107
-
9112
[6]
NITROSOACETALDEHYDE AND ITS ENOL AND OXIME ISOMERS - THEORETICAL INVESTIGATION OF AN ASYMMETRIC 1,5-SIGMATROPIC HYDROGEN SHIFT
BOUMA, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
BOUMA, WJ
论文数:
引用数:
h-index:
机构:
RADOM, L
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(13)
: 3487
-
3490
[7]
ABINITIO MOLECULAR-ORBITAL STUDIES OF SIGMATROPIC REARRANGEMENTS
BOUMA, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
BOUMA, WJ
VINCENT, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
VINCENT, MA
RADOM, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
RADOM, L
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1978,
14
(06)
: 767
-
777
[8]
VINYL ALCOHOL - STABLE MOLECULE
BOUMA, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
BOUMA, WJ
POPPINGER, D
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
POPPINGER, D
论文数:
引用数:
h-index:
机构:
RADOM, L
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(19)
: 6443
-
6444
[9]
BETA-THIOXOKETONES .4. CONJUGATIVE EFFECTS ON ENOL-ENETHIOL TAUTOMERISM OF BETA-THIOXOKETONES
CARLSEN, L
论文数:
0
引用数:
0
h-index:
0
CARLSEN, L
DUUS, F
论文数:
0
引用数:
0
h-index:
0
DUUS, F
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(01)
: 281
-
282
[10]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .15. RING-CLOSURE AND PROTON-TRANSFER IN FORMIC-ACID DIMER AND BETA-HYDROXYACROLEIN
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
DELBENE, JE
KOCHENOUR, WL
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
KOCHENOUR, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(08)
: 2041
-
2046
←
1
2
3
4
5
→
共 41 条
[1]
NITROSOMETHANE AND ITS NITRONE AND OXIME ISOMERS - A THEORETICAL-STUDY OF 1,2-INTRAMOLECULAR AND 1,3-INTRAMOLECULAR HYDROGEN SHIFTS
ADENEY, PD
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
ADENEY, PD
BOUMA, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
BOUMA, WJ
论文数:
引用数:
h-index:
机构:
RADOM, L
RODWELL, WR
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA
RODWELL, WR
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(12)
: 4069
-
4074
[2]
A SIZE CONSISTENT UNITARY-GROUP APPROACH MULTI-REFERENCE LINEAR COUPLED CLUSTER THEORY
BAKER, H
论文数:
0
引用数:
0
h-index:
0
BAKER, H
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
ROBB, MA
[J].
MOLECULAR PHYSICS,
1983,
50
(05)
: 1077
-
1082
[3]
A MULTI-REFERENCE APPROACH TO ENERGY DECOMPOSITION FOR MOLECULAR-INTERACTIONS
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORGAN,BOLOGNA,ITALY
IST CHIM ORGAN,BOLOGNA,ITALY
BERNARDI, F
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORGAN,BOLOGNA,ITALY
IST CHIM ORGAN,BOLOGNA,ITALY
ROBB, MA
[J].
MOLECULAR PHYSICS,
1983,
48
(06)
: 1345
-
1355
[4]
ORBITAL-SYMMETRY FORBIDDEN REACTIONS
BERSON, JA
论文数:
0
引用数:
0
h-index:
0
BERSON, JA
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1972,
5
(12)
: 406
-
&
[5]
GROUND-STATES OF MOLECULES .22. INCORPORATION OF PARTIAL CONFIGURATION INTERACTION IN MINDO/2 AND ITS APPLICATION TO BOND DISSOCIATION ENERGIES AND SIGMATROPIC REARRANGEMENTS
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(26)
: 9107
-
9112
[6]
NITROSOACETALDEHYDE AND ITS ENOL AND OXIME ISOMERS - THEORETICAL INVESTIGATION OF AN ASYMMETRIC 1,5-SIGMATROPIC HYDROGEN SHIFT
BOUMA, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
BOUMA, WJ
论文数:
引用数:
h-index:
机构:
RADOM, L
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(13)
: 3487
-
3490
[7]
ABINITIO MOLECULAR-ORBITAL STUDIES OF SIGMATROPIC REARRANGEMENTS
BOUMA, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
BOUMA, WJ
VINCENT, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
VINCENT, MA
RADOM, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
RADOM, L
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1978,
14
(06)
: 767
-
777
[8]
VINYL ALCOHOL - STABLE MOLECULE
BOUMA, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
BOUMA, WJ
POPPINGER, D
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
POPPINGER, D
论文数:
引用数:
h-index:
机构:
RADOM, L
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(19)
: 6443
-
6444
[9]
BETA-THIOXOKETONES .4. CONJUGATIVE EFFECTS ON ENOL-ENETHIOL TAUTOMERISM OF BETA-THIOXOKETONES
CARLSEN, L
论文数:
0
引用数:
0
h-index:
0
CARLSEN, L
DUUS, F
论文数:
0
引用数:
0
h-index:
0
DUUS, F
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(01)
: 281
-
282
[10]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .15. RING-CLOSURE AND PROTON-TRANSFER IN FORMIC-ACID DIMER AND BETA-HYDROXYACROLEIN
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
DELBENE, JE
KOCHENOUR, WL
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
KOCHENOUR, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(08)
: 2041
-
2046
←
1
2
3
4
5
→