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Infrared intensities and optical constants of crystalline C2H4 and C2D4

โœ Scribed by G. Zhao; M.J. Ospina; R.K. Khanna


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
336 KB
Volume
44
Category
Article
ISSN
1386-1425

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๐Ÿ“œ SIMILAR VOLUMES


SCF dipole moment derivatives, harmonic
โœ R.D. Amos ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 382 KB

Analytical derivative techniques are used to obtain the dipole moment derivatives and harmonic frequencies of CzI-Iz and C2H4 usmg SCF wavefunctions and large b&s sets. The infrared intensities within the harmonic approximation are obtained. The multipole moments and polartiabililies are also calcul