Naphthalene dimer and naphthalene dimer with Ar: calibration calculations and the effect of Ar on the stability and vibrational frequencies
β Scribed by Bauschlicher, Charles W.; Ricca, Alessandra
- Book ID
- 125341861
- Publisher
- Springer
- Year
- 2013
- Tongue
- English
- Weight
- 308 KB
- Volume
- 132
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
Excitation spectra of van der Waals (vdW) clusters show spectral shifts due to change in the stabilization energy in the ground and excited state. Ab initio calculations are applied to determine the structure and vibrational frequencies of vdW clusters like benzene...Ar and benzene...Ar 2 in the ele
The van der Waals complex benzene-SF, has been studied theoretically by ab initio calculations using MP2 theory. A C, symmetry has been found for the equilibrium configuration in contrast to the Cs, symmetry derived using a pairwise atom-atom Lennard-Jones potential. Thus, good agreement has been ac