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A study of the potential functions of the stretching, bending, and twisting vibrations of the O−H bond of alcohols in intermolecular and ion-molecular H-complexes

✍ Scribed by L. A. Gribov; T. T. El'meneva; I. S. Perelygin

Publisher
SP MAIK Nauka/Interperiodica
Year
1981
Tongue
English
Weight
368 KB
Volume
21
Category
Article
ISSN
0022-4766

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An ab initio calculation of symmetric be
An ab initio calculation of symmetric bending and stretching vibrational states of the H3O+ and D3O+ ions
✍ Norihiro Shida; Kiyoshi Tanaka; Kimio Ohno 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 303 KB

Calculations are reported for the symmetric bending and stretching vibrational states of H30f and D30' including coupling between these two modes. The calculations were carried out by using a potential surface calculated by the SCT Cl method and expressed in terms of symmetric internal coordinates\_