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Vibrational spectra and force constants of ClNCCl2

✍ Scribed by K. Kalcher; E. Nachbaur; A. Popitsch


Book ID
107802181
Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
572 KB
Volume
102
Category
Article
ISSN
0022-2852

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The computed force constants and vibrati
✍ Yaoming Xie; James E. Boggs πŸ“‚ Article πŸ“… 1986 πŸ› John Wiley and Sons 🌐 English βš– 574 KB

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