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MNDO-PM3 and AM1 studies of heats of formation of aliphatic and alicyclic aldehydes, ketones and nitriles

✍ Scribed by A. Hernández-Laguna; R. Alguacil; J.-L.M. Abboud; Y.G. Smeyers

Book ID
113257837
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
671 KB
Volume
282
Category
Article
ISSN
0166-1280

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## Abstract Semiempirical Hartree‐Fock techniques are widely used to study properties of long ring‐structured chains, although these types of systems were not included in the original parametrization ensembles. These techniques are very useful for an ample class of studies, and their predictive pow