TOWARDS AN ACCURATE ABINITIO CALCULATION OF THE TRANSITION-STATE STRUCTURES OF THE DIELS-ALDER REACTION

被引：80

作者：

BERNARDI, F

BOTTONI, A

ROBB, MA

FIELD, MJ

HILLIER, IH

GUEST, MF

机构：

[1] SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND

[2] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND

[3] UNIV LONDON QUEEN ELIZABETH COLL,LONDON W8 7AH,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1985年 / 15期

关键词：

D O I：

10.1039/c39850001051

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1051 / 1052

页数：2

共 13 条

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[8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
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[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +
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