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A COMPARISON OF SEMIEMPIRICAL AND ABINITIO SCF-MO POTENTIAL-ENERGY SURFACES FOR THE REACTION OF H2C=O WITH R3P=CH2 AND RP=CH2
被引:9
作者
:
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
机构
:
来源
:
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
|
1989年
/ 12期
关键词
:
D O I
:
10.1039/p29890002115
中图分类号
:
O62 [有机化学];
学科分类号
:
070303 ;
081704 ;
摘要
:
引用
收藏
页码:2115 / 2119
页数:5
相关论文
共 18 条
[1]
REACTION OF THE PHOSPHA-ALKYNE ARC=P (AR = 2,4,6-(BU-TERT)3C6H2) WITH NUCLEOPHILES - A NEW APPROACH TO 1,3-DIPHOSPHABUTADIENE SYNTHESIS
[J].
ARIF, AM
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
ARIF, AM
;
BARRON, AR
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
BARRON, AR
;
COWLEY, AH
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
COWLEY, AH
;
HALL, SW
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
HALL, SW
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1988,
(03)
:171
-172
[2]
BERNARDI F, 1988, THEOCHEM-J MOL STRUC, V42, P341, DOI 10.1016/0166-1280(88)87031-3
[3]
TOWARDS AN ACCURATE ABINITIO CALCULATION OF THE TRANSITION-STATE STRUCTURES OF THE DIELS-ALDER REACTION
[J].
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
BERNARDI, F
;
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
BOTTONI, A
;
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
ROBB, MA
;
FIELD, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
FIELD, MJ
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
HILLIER, IH
;
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
GUEST, MF
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1985,
(15)
:1051
-1052
[4]
DIABATIC SURFACES FOR 2-BOND ADDITION-REACTIONS - THE ROLE OF RESONANCE INTERACTION
[J].
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
;
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
;
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
;
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
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1987,
109
(02)
:544
-553
[5]
MC-SCF STUDY OF THE DIELS-ALDER REACTION BETWEEN ETHYLENE AND BUTADIENE
[J].
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
BERNARDI, F
;
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
BOTTONI, A
;
FIELD, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
FIELD, MJ
;
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
GUEST, MF
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
HILLIER, IH
;
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
ROBB, MA
;
VENTURINI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
VENTURINI, A
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1988,
110
(10)
:3050
-3055
[6]
OLD AND NEW YLID CHEMISTRY
[J].
BESTMANN, HJ
论文数:
0
引用数:
0
h-index:
0
BESTMANN, HJ
.
PURE AND APPLIED CHEMISTRY,
1980,
52
(04)
:771
-788
[7]
MNDO PARAMETERS FOR 3RD PERIOD ELEMENTS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
MCKEE, ML
;
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(11)
:3607
-3607
[8]
MECHANISM OF THE DIELS-ALDER REACTION - REACTIONS OF BUTADIENE WITH ETHYLENE AND CYANOETHYLENES
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
DEWAR, MJS
;
OLIVELLA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
OLIVELLA, S
;
STEWART, JJP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
STEWART, JJP
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(19)
:5771
-5779
[9]
GROUND-STATES OF MOLECULES .63. REVERSE CHELETROPIC REACTIONS IN POLYCYCLIC SYSTEMS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
CHANTRANUPONG, L
论文数:
0
引用数:
0
h-index:
0
CHANTRANUPONG, L
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(24)
:7161
-7167
[10]
GROUND-STATES OF MOLECULES .62. MINDO/3 AND MNDO STUDIES OF SOME CHELETROPIC REACTIONS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
CHANTRANUPONG, L
论文数:
0
引用数:
0
h-index:
0
CHANTRANUPONG, L
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(24)
:7152
-7161
←
1
2
→
共 18 条
[1]
REACTION OF THE PHOSPHA-ALKYNE ARC=P (AR = 2,4,6-(BU-TERT)3C6H2) WITH NUCLEOPHILES - A NEW APPROACH TO 1,3-DIPHOSPHABUTADIENE SYNTHESIS
[J].
ARIF, AM
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
ARIF, AM
;
BARRON, AR
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
BARRON, AR
;
COWLEY, AH
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
COWLEY, AH
;
HALL, SW
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
HALL, SW
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1988,
(03)
:171
-172
[2]
BERNARDI F, 1988, THEOCHEM-J MOL STRUC, V42, P341, DOI 10.1016/0166-1280(88)87031-3
[3]
TOWARDS AN ACCURATE ABINITIO CALCULATION OF THE TRANSITION-STATE STRUCTURES OF THE DIELS-ALDER REACTION
[J].
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
BERNARDI, F
;
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
BOTTONI, A
;
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
ROBB, MA
;
FIELD, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
FIELD, MJ
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
HILLIER, IH
;
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
GUEST, MF
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1985,
(15)
:1051
-1052
[4]
DIABATIC SURFACES FOR 2-BOND ADDITION-REACTIONS - THE ROLE OF RESONANCE INTERACTION
[J].
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
;
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
;
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
;
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
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1987,
109
(02)
:544
-553
[5]
MC-SCF STUDY OF THE DIELS-ALDER REACTION BETWEEN ETHYLENE AND BUTADIENE
[J].
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
BERNARDI, F
;
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
BOTTONI, A
;
FIELD, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
FIELD, MJ
;
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
GUEST, MF
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
HILLIER, IH
;
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
ROBB, MA
;
VENTURINI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
VENTURINI, A
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1988,
110
(10)
:3050
-3055
[6]
OLD AND NEW YLID CHEMISTRY
[J].
BESTMANN, HJ
论文数:
0
引用数:
0
h-index:
0
BESTMANN, HJ
.
PURE AND APPLIED CHEMISTRY,
1980,
52
(04)
:771
-788
[7]
MNDO PARAMETERS FOR 3RD PERIOD ELEMENTS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
MCKEE, ML
;
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(11)
:3607
-3607
[8]
MECHANISM OF THE DIELS-ALDER REACTION - REACTIONS OF BUTADIENE WITH ETHYLENE AND CYANOETHYLENES
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
DEWAR, MJS
;
OLIVELLA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
OLIVELLA, S
;
STEWART, JJP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
STEWART, JJP
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(19)
:5771
-5779
[9]
GROUND-STATES OF MOLECULES .63. REVERSE CHELETROPIC REACTIONS IN POLYCYCLIC SYSTEMS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
CHANTRANUPONG, L
论文数:
0
引用数:
0
h-index:
0
CHANTRANUPONG, L
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(24)
:7161
-7167
[10]
GROUND-STATES OF MOLECULES .62. MINDO/3 AND MNDO STUDIES OF SOME CHELETROPIC REACTIONS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
CHANTRANUPONG, L
论文数:
0
引用数:
0
h-index:
0
CHANTRANUPONG, L
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(24)
:7152
-7161
←
1
2
→