The van der Waals complex benzene-SF, has been studied theoretically by ab initio calculations using MP2 theory. A C, symmetry has been found for the equilibrium configuration in contrast to the Cs, symmetry derived using a pairwise atom-atom Lennard-Jones potential. Thus, good agreement has been ac
✦ LIBER ✦
Ab initio determination of the C6H6⋯CS2 cluster stabilization energy
✍ Scribed by Nádya Pesce da Silveira; Fabiano Severo Rodembusch; Fabiano Vargas Pereira Dimitrios Samios; Paolo Roberto Livotto
- Book ID
- 108430899
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 183 KB
- Volume
- 253
- Category
- Article
- ISSN
- 0301-0104
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