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Vibrational spectra of stannane: Harmonic force field, Raman and IR intensities from ab initio correlated wavefunctions

✍ Scribed by Javier Fernandez Sanz; Antonio Marquez; Claude Pouchan


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
575 KB
Volume
130
Category
Article
ISSN
0301-0104

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Harmonic IR spectra from empirical force
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Infrared spectra simulations require ab initio techniques to get reliable intensities. On the other hand, recent force fields can provide accurate molecular geometries and frequencies. Therefore, it is suggested that these new force fields could be used to simulate infrared spectra, dipole-moment su