A study of the coronene-coronene association using different interaction potentials based on an atom-atom pair potential proposed by Fraga has been performed. The interaction potentials employed differ in the way the electrostatic and/or dispersion contributions are computed. The influence of both c
✦ LIBER ✦
Theoretical description of the fluoranthene-fluoranthene association using atom-atom pair potentials
✍ Scribed by M. Rubio; J. Sánchez-Marín; E. Ortí
- Book ID
- 116136564
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 253 KB
- Volume
- 71
- Category
- Article
- ISSN
- 0379-6779
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## Abstract The efficiency of the so‐called big‐bang method for the optimization of atomic clusters is analysed in detail for Morse pair potentials with different ranges; here, we have used Morse potentials with four different ranges, from long‐ ρ = 3) to short‐ranged ρ = 14) interactions. Specific