THE EFFECT OF THE CORRELATION-ENERGY ON THE MECHANISM OF THE DIELS-ALDER REACTION

被引：46

作者：

ORTEGA, M

OLIVA, A

LLUCH, JM

BERTRAN, J

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1983年 / 102卷 / 04期

关键词：

D O I：

10.1016/0009-2614(83)87048-1

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

页码：317 / 320

页数：4

共 19 条

[11]

JUG K, 1980, THEOR CHIM ACTA, V54, P290

[12] STRUCTURE AND STABILITY OF CARBOCATIONS C2H3+ AND C2H4X+, X=H, F, CL, AND CH3 - ABINITIO INVESTIGATION INCLUDING ELECTRON CORRELATION AND A COMPARISON WITH MINDO-3 RESULTS [J].

LISCHKA, H ;

KOHLER, HJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (17) :5297-5305

[13] STRUCTURE OF TRANSITION-STATES - ARE THEY SYMMETRIC [J].

MCIVER, JW .

ACCOUNTS OF CHEMICAL RESEARCH, 1974, 7 (03) :72-77

[14] Note on an approximation treatment for many-electron systems [J].

Moller, C ;

Plesset, MS .

PHYSICAL REVIEW, 1934, 46 (07) :0618-0622

[15] THEORETICAL-STUDY OF DIELS-ALDER REACTIONS BETWEEN SUBSTITUTED DERIVATIVES OF BUTADIENE AND ETHYLENE [J].

OLIVA, A ;

FERNANDEZALONSO, JI ;

BERTRAN, J .

TETRAHEDRON, 1978, 34 (13) :2029-2033

[16]

OLIVA A, 1979, AN QUIM, V75, P45

[17]

POPLE JA, 1976, INT J QUANTUM CHEM, P1

[18] MOLLER-PLESSET TREATMENT OF ELECTRON CORRELATION-EFFECTS IN (HOHOH)- [J].

SZCZESNIAK, MM ;

SCHEINER, S .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (09) :4586-4593

[19] ORGANIC TRANSITION-STATES .5. DIELS-ALDER REACTION [J].

TOWNSHEND, RE ;

RAMUNNI, G ;

SEGAL, G ;

HEHRE, WJ ;

SALEM, L .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (08) :2190-2198

← 1 2 →