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Theoretical study of the intermolecular hydrogen bond interaction for furan-HCl and furan-CHCl3complexes

✍ Scribed by Li Jiang; Xie Daiqian; Yan Guosen


Book ID
111784221
Publisher
SP Science China Press
Year
2003
Tongue
English
Weight
139 KB
Volume
46
Category
Article
ISSN
1674-7291

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Theoretical study of intermolecular pote
✍ Hermida-RamοΏ½n, Jose M.; Engkvist, Ola; KarlstrοΏ½m, Gunnar πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 280 KB πŸ‘ 2 views

The intermolecular part of the potential energy surface for the HCl dimer has been studied with ab initio quantum chemical methods. An intermolecular potential, based on quantum chemical calculations has been constructed. The interaction energy consists of electrostatic, induction, and dispersion te