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Intermolecular energies of small water polymers

✍ Scribed by Janet Del Bene; J.A. Pople

Publisher
Elsevier Science
Year
1969
Tongue
English
Weight
229 KB
Volume
4
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

A study of intermolecular energies in sm
A study of intermolecular energies in small water polymers by the extended hΓΌckel method
✍ D.A Zhogolev; I.V Matyash πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 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

Practical improvements for the calculati
Practical improvements for the calculation of intermolecular energies
✍ Marie-Jose Huron; Pierre Claverie πŸ“‚ Article πŸ“… 1969 πŸ› Elsevier Science 🌐 English βš– 536 KB

Practical improvements for the semi-empirical calculation of long-range and short-range energies between two arbitrary molecules are given. Interaction energies between molecules or' organic solvents are calculated and compared with experimental vaporization energies.