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Ab initio cluster model calculations on the vibrational frequencies of TeO2 glass

✍ Scribed by Takashi Uchino; Toshinobu Yoko


Book ID
117147958
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
695 KB
Volume
204
Category
Article
ISSN
0022-3093

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Ab initio calculations on the structure,
✍ Pavel Hobza; Ota BludskΓ½; Heinrich L. Selzle; Edward W. Schlag πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 457 KB

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