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The ab initio calculated molecular structures, force fields and vibrational frequencies of some organic azides

✍ Scribed by C.E. Sjørgen; C.J. Nielsen

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
265 KB
Volume
142
Category
Article
ISSN
0022-2860

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✍ 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