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Vibrational spectrum of RbVOPO4

✍ Scribed by E.J. Baran; M.B. Vassallo; K.H. Lii


Book ID
103956918
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
178 KB
Volume
10
Category
Article
ISSN
0924-2031

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The molecular structure and vibrational spectrum of 4-chlorostyrene have been investigated by ab initio and DFT calculations combined with infrared/Raman and Inelastic Neutron Scattering (INS) spectroscopies. The molecular geometry has been optimized at different levels of theory, RHF, MP2, B3LYP an