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Force constants and vibrational spectra of molecules RP(X)F2

✍ Scribed by S. A. Katsyuba; R. R. Shagidullin


Book ID
104867925
Publisher
Springer US
Year
1985
Tongue
English
Weight
348 KB
Volume
42
Category
Article
ISSN
0021-9037

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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