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Ab initio computation of the force field and vibrational frequencies of the H2O·HF hydrogen bonded complex

✍ Scribed by D.G. Lister; P. Palmiari


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
433 KB
Volume
39
Category
Article
ISSN
0022-2860

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An ab initio calculation of the force fi
✍ P. Botschwina 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 490 KB

The &monk foice field of mgh&neimine (HzCNH) in the A' symmetry species has been calculated.from ab initiq SCF wavefunctions and is compared with the force Gel& of ethylene and formaldehyde. Vibrational frequenties and normal modes of vibrations have been calculated in o&er to give an explanationof