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π-Molecular complexes: A modified CNDO study of the benzene-borazine system

✍ Scribed by Friedrich Grein; Karl Weiss

Publisher
Springer
Year
1974
Tongue
English
Weight
511 KB
Volume
34
Category
Article
ISSN
1432-2234

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✍ Jaroslav Vacek; Karel Konvička; Pavel Hobza 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 729 KB

## AbSl?2lCt The benzene...A.rr cluster was studied by constant energy molecular dynamics simulations. Three different types of intermolecular potential were used; two were based on ab initio data, and the third is the standard empirical6-12 Lennard-Jones potential. The relative populations of the