THEORETICAL-STUDY OF THE PYROLYSIS OF ESTERS .1. MNDO, AM1 AND ABINITIO CALCULATIONS OF ELIMINATION AND REARRANGEMENT PROCESSES FOR ETHYL FORMIATE

被引：8

作者：

HAMON, L ^{[1
]}

LEVISALLES, J ^{[1
]}

PASCAL, YL ^{[1
]}

机构：

[1] UNIV PIERRE & MARIE CURIE,CHIM ORGAN LAB,CNRS,UA 408,F-75232 PARIS 05,FRANCE

来源：

TETRAHEDRON | 1989年 / 45卷 / 06期

关键词：

D O I：

10.1016/S0040-4020(01)80036-3

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：1711 / 1722

页数：12

共 48 条

[41] A MNDO SCF-MO THEORETICAL-STUDY OF THE MECHANISM OF [1,2] MIGRATIONS IN FREE-RADICALS AS A MODEL FOR COENZYME-B12 MEDIATED REARRANGEMENT REACTIONS
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[42] THEORETICAL AND EXPERIMENTAL-STUDY ON SMALL MOLECULAR-IONS .1. ABINITIO CALCULATIONS ON CSE, CSE+, AND HCSE+ SPECIES
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[44] STRUCTURAL STUDY OF BETA-D-ARABINOFURANOSYLURACIL DERIVATIVES WITH KNOWN ANTIVIRAL ACTIVITY .2. MOLECULAR MECHANICS AND MOLECULAR-ORBITAL (MNDO, AM1 AND PM3) CALCULATIONS - A COMPARATIVE-STUDY
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JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 111 : 35 - 53
[45] Rearrangement of the 1-oxaspiro[4.5]deca-6,9-dien-8-ylium ion.: Part 1.: A semiempirical (AM1), density functional and ab initio molecular orbital computational study
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[46] SMALL HETEROBORANE CLUSTER SYSTEMS .1. THEORETICAL-STUDY OF BRIDGED AND CAGE-INSERTED PHOSPHABORANE CLUSTER COMPOUNDS WITH SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS
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WHELAN, TA
SPENCER, JT
ORGANOMETALLICS, 1991, 10 (04) : 1148 - 1161
[47] PHTHALOCYANINE ANALOGS .1. SYNTHESIS, SPECTROSCOPY, AND THEORETICAL-STUDY OF 8,18-DIHYDRODIBENZO[B,L]-5,7,8,10,15,17,18,20-OCTA-AZAPORPHYRIN AND MNDO CALCULATIONS ON ITS RELATED HUCKEL HETEROANNULENE
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DEMENDOZA, J
MO, O
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JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1989, (07): : 797 - 803
[48] THEORETICAL-STUDY OF THE ELECTROREDUCTION OF HALOGENATED AROMATIC-COMPOUNDS .3. O-DIBROMOBENZENES, M-DIBROMOBENZENES AND P-DIBROMOBENZENES STUDIES BY AM1 AND PM3 METHODS
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