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Calculation of the vibration frequencies of naphthalene

✍ Scribed by D.B. Scully; D.H. Whiffen

Publisher
Elsevier Science
Year
1960
Weight
409 KB
Volume
16
Category
Article
ISSN
0371-1951

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✦ Synopsis

The vibration frequencies, infra-red and Haman intensities of naphthalene are calculated. Relevant constants are transferred from benzene and a preferred assignment is given in Tables and.

πŸ“œ SIMILAR VOLUMES

Calculation of the vibration frequencies
Calculation of the vibration frequencies of Ξ±-quartz: The effect of Hamiltonian and basis set
✍ C. M. Zicovich-Wilson; F. Pascale; C. Roetti; V. R. Saunders; R. Orlando; R. Dov πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 97 KB

## Abstract The central‐zone vibrational spectrum of α‐quartz (SiO~2~) is calculated by building the Hessian matrix numerically from the analytical gradients of the energy with respect to the atomic coordinates. The nonanalytical part is obtained with a finite field supercell approach for the high‐