SCF dipole moment derivatives, harmonic
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R.D. Amos
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Article
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1985
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Elsevier Science
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English
โ 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