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
โฆ LIBER โฆ
Dipole moment derivatives and infrared intensities in fluoromethanes
โ Scribed by Kwan Kim; Cheol Woo Park
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 838 KB
- Volume
- 161
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
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