๐”– Bobbio Scriptorium
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Dipole moment derivatives and infrared intensities. I. Polar tensors

โœ Scribed by Person, Willis B.


Book ID
120201460
Publisher
American Institute of Physics
Year
1974
Tongue
English
Weight
993 KB
Volume
61
Category
Article
ISSN
0021-9606

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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