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Molecular modeling of the Wittig olefination reaction: Part 2: A molecular orbital approach at the MNDO‐PM3 level

Molecular modeling of the Wittig olefination reaction: Part 2: A molecular orbital approach at... We have shown that the MNDO‐PM3 semiempirical molecular orbital method is capable of yielding calculated structures of oxaphosphetanes and ylides that are comparable with the experimentally known structures. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Heteroatom Chemistry Wiley

Molecular modeling of the Wittig olefination reaction: Part 2: A molecular orbital approach at the MNDO‐PM3 level

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References (28)

Publisher
Wiley
Copyright
Copyright © 1991 Wiley Subscription Services
ISSN
1042-7163
eISSN
1098-1071
DOI
10.1002/hc.520020208
Publisher site
See Article on Publisher Site

Abstract

We have shown that the MNDO‐PM3 semiempirical molecular orbital method is capable of yielding calculated structures of oxaphosphetanes and ylides that are comparable with the experimentally known structures.

Journal

Heteroatom ChemistryWiley

Published: Jan 1, 1991

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