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Accurate ab initio quartic force field and vibrational frequencies of the NH4+ ion and its deuterated forms

โœ Scribed by Jan M.L. Martin; Timothy J. Lee


Book ID
107736599
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
467 KB
Volume
258
Category
Article
ISSN
0009-2614

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An ab initio calculation of the force fi
โœ P. Botschwina ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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