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DIABATIC SURFACES FOR 2-BOND ADDITION-REACTIONS - THE ROLE OF RESONANCE INTERACTION
被引:21
作者
:
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
BERNARDI, F
[
1
]
OLIVUCCI, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
OLIVUCCI, M
[
1
]
MCDOUALL, JJW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
MCDOUALL, JJW
[
1
]
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
ROBB, MA
[
1
]
机构
:
[1]
UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1987年
/ 109卷
/ 02期
关键词
:
D O I
:
10.1021/ja00236a037
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:544 / 553
页数:10
相关论文
共 28 条
[1]
[Anonymous], 1944, QUANTUM CHEM
[2]
DIABATIC SURFACE METHODS FOR THE STUDY OF THE REACTIVITY OF ORGANIC-MOLECULES .1. CYCLOADDITION OF 2 ETHYLENES
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
BERNARDI, F
OLIVUCCI, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
OLIVUCCI, M
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
ROBB, MA
TONACHINI, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
TONACHINI, G
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(07)
: 1408
-
1415
[3]
AN MC-SCF STUDY OF THE THERMAL CYCLO-ADDITION OF 2 ETHYLENES
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
BERNARDI, F
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
BOTTONI, A
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
ROBB, MA
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
SCHLEGEL, HB
论文数:
引用数:
h-index:
机构:
TONACHINI, G
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(08)
: 2260
-
2264
[4]
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
[5]
AN MC-SCF STUDY OF [1,3] AND [1,2] SIGMATROPIC SHIFTS IN PROPENE
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(05)
: 1198
-
1202
[6]
FRAGMENTS IN MOLECULES - THE DECOMPOSITION OF REACTION SURFACES INTO DIABATIC COMPONENTS IN THE FRAMEWORK OF AN AB-INITIO CI APPROACH
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
BERNARDI, F
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
ROBB, MA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(01)
: 54
-
58
[7]
Bernardi F., 1984, FARADAY S CHEM SOC, V19, P137
[8]
BERNARDI F, 1985, J CHEM SOC CHEM COMM, P492
[9]
BERNARDI F, J COMPUT CHEM
[10]
BRANDOW BH, 1977, ADV QUANTUM CHEM, V10, P187
←
1
2
3
→
共 28 条
[1]
[Anonymous], 1944, QUANTUM CHEM
[2]
DIABATIC SURFACE METHODS FOR THE STUDY OF THE REACTIVITY OF ORGANIC-MOLECULES .1. CYCLOADDITION OF 2 ETHYLENES
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
BERNARDI, F
OLIVUCCI, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
OLIVUCCI, M
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
ROBB, MA
TONACHINI, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
TONACHINI, G
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(07)
: 1408
-
1415
[3]
AN MC-SCF STUDY OF THE THERMAL CYCLO-ADDITION OF 2 ETHYLENES
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
BERNARDI, F
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
BOTTONI, A
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
ROBB, MA
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
SCHLEGEL, HB
论文数:
引用数:
h-index:
机构:
TONACHINI, G
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(08)
: 2260
-
2264
[4]
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
[5]
AN MC-SCF STUDY OF [1,3] AND [1,2] SIGMATROPIC SHIFTS IN PROPENE
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(05)
: 1198
-
1202
[6]
FRAGMENTS IN MOLECULES - THE DECOMPOSITION OF REACTION SURFACES INTO DIABATIC COMPONENTS IN THE FRAMEWORK OF AN AB-INITIO CI APPROACH
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
BERNARDI, F
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
ROBB, MA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(01)
: 54
-
58
[7]
Bernardi F., 1984, FARADAY S CHEM SOC, V19, P137
[8]
BERNARDI F, 1985, J CHEM SOC CHEM COMM, P492
[9]
BERNARDI F, J COMPUT CHEM
[10]
BRANDOW BH, 1977, ADV QUANTUM CHEM, V10, P187
←
1
2
3
→