## 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¦
Atomistic Simulation of a Nematogen Using a Force Field Derived from Quantum Chemical Calculations
β Scribed by Cacelli, Ivo; Prampolini, Giacomo; Tani, Alessandro
- Book ID
- 119944391
- Publisher
- American Chemical Society
- Year
- 2005
- Tongue
- English
- Weight
- 207 KB
- Volume
- 109
- Category
- Article
- ISSN
- 0022-3654
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