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Far IR and Raman vibrational spectra of nitramines

✍ Scribed by V. A. Shlyapochnikov; L. S. Khaikin; O. E. Grikina; N. O. Cherskaya; L. E. Maksimova; N. F. Pyatakov


Book ID
105595016
Publisher
Springer
Year
1998
Tongue
English
Weight
255 KB
Volume
47
Category
Article
ISSN
1573-9171

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## Abstract In this work we demonstrate how different modern quantum chemical methods can be efficiently combined and applied for the calculation of the vibrational modes and spectra of large molecules. We are aiming at harmonic force fields, and infrared as well as Raman intensities within the dou