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A study of Q-value effects on barrier penetration

✍ Scribed by C.H. Dasso; S. Landowne; A. Winther


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
649 KB
Volume
407
Category
Article
ISSN
0375-9474

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The results of systematic studies, using the CNDO/2-force model of Pulay and Torok, are presented for different methanol-water associations. The influence of the environment on the rotational harrier is discussed in detail. Molecular geometries, charge distributions and hvdration energies are also