## Abstract Interaction energy of the 4β__n__βpentyloxyβ4β²βcyanobiphenyl (5OCB) dimer is computed at MP2 level, for many geometrical arrangements using the Fragmentation Reconstruction Method (FRM). DFT calculations are performed for a number of geometries of the monomer. The resulting database is
β¦ LIBER β¦
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase
β Scribed by Benedetta Mennucci; Chiara Cappelli; Roberto Cammi; Jacopo Tomasi
- Publisher
- Springer
- Year
- 2006
- Tongue
- English
- Weight
- 276 KB
- Volume
- 117
- Category
- Article
- ISSN
- 1432-2234
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