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
β¦ LIBER β¦
Vibrational frequencies of halogens adsorbed on Ag (100) based on ab initio cluster model calculations
β Scribed by F. Illas; J. Rubio; J.M. Ricart; J.A. Garrido
- Publisher
- Elsevier Science
- Year
- 1986
- Weight
- 421 KB
- Volume
- 200
- Category
- Article
- ISSN
- 0022-0728
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Ab initio calculations on the structure,
β
Pavel Hobza; Ota BludskΓ½; Heinrich L. Selzle; Edward W. Schlag
π
Article
π
1996
π
Elsevier Science
π
English
β 457 KB
Ab initio calculations of an M center on
β
K.B. Shelimov; A.A. Safonov; A.A. Bagatur'yants
π
Article
π
1993
π
Elsevier Science
π
English
β 408 KB
Vibrational frequency shifts of diatomic
β
Laure Koubi; Monique Blain; Evelyne Cohen de Lara; Jean-Marie Leclerq
π
Article
π
1994
π
Elsevier Science
π
English
β 558 KB
Ab initio calculations on H2 and N2 and on the same molecules in the presence of a Na+ cation are presented. The equilibrium configuration and the vibrational frequency shift due to the interaction are calculated. The potential energy surfaces are obtained by local osculatory interpolations and extr