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Vibrational spectra and force constants calculations of the isotopic species of MgCaSiO4

✍ Scribed by M. Handke; K. Kosinski; P. Tarte


Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
260 KB
Volume
115
Category
Article
ISSN
0022-2860

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The complete harmonic force field and dipole moment derivatives have been computed for toluene at the Hartree-Fock level using a 4-21G basis set. The six scale factors optimized for benzene were used to scale the computed harmonic force constants of toluene. The vibrational frequencies of toluene co