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Calculation of activation energy for the processes of variation in the molecular configuration by the extended Hückel method

✍ Scribed by Yu. P. Nazarenko; Yu. I. Bratushko; K. B. Yatsimirskii

Book ID
112361932
Publisher
Springer
Year
1975
Tongue
English
Weight
344 KB
Volume
9
Category
Article
ISSN
0040-5760

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✍ D.A Zhogolev; I.V Matyash 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 712 KB

Potential curves for several confiirations of polymers consisting of two, thre& five, and six water mo1ecoIe.s have b&n calculated by the extended Hiickel method-. Results for dimers show quaIit&ive agreement with the results of -ab\_initio c&uIauons. The methoopredicts non-additivity of the hydroge