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An ab initio calculation of the vibrational force field and spectrum of pyrazole

✍ Scribed by Kangnian Fan; James E. Boggs

Book ID
119116540
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
699 KB
Volume
138
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

An ab initio calculation of the force fi
An ab initio calculation of the force field and vibrational frequencies of H2 CNH
✍ P. Botschwina πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 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