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Molecular mechanics studies of enthalpies of formation and strain energies of azoxyalkanes

✍ Scribed by Katarina Byström

Publisher
John Wiley and Sons
Year
1983
Tongue
English
Weight
394 KB
Volume
4
Category
Article
ISSN
0192-8651

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✦ Synopsis

A force field has been developed, on the basis of available experimental and partial retention of diatomic differential overlap (PRDDO) data, to permit molecular mechanics calculations on azoxyalkanes. The calculated structures and enthalpies of formation are in fair agreement with experimental results. The calculated enthalpies of formation and strain energies are compared with the corresponding quantities for analogous azoalkanes.

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