𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A DFT Study on the Interactions between Sulfolane and

✍ Scribed by Bang-Qing Ni; Yan-Yan Shan; Hai-Jun Wang; Wan-Long Liu

Publisher
Springer US
Year
2008
Tongue
English
Weight
713 KB
Volume
37
Category
Article
ISSN
0095-9782

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

An ab initio and DFT study of the intera
An ab initio and DFT study of the interaction between ethanethiol and zeolites
✍ Humberto SoscΓΊn; Olga Castellano; Javier Hernandez; Federico Arrieta; Yaneth Ber πŸ“‚ Article πŸ“… 2007 πŸ› Elsevier Science 🌐 English βš– 373 KB

The interaction of ethanethiol (C 2 H 5 SH) with a model cluster of three tetrahedral zeolite sites (T3) and a larger zeolite model represented by a 12-membered ring with one hydroxyl BrΓΆnsted acid site (T12), has been investigated by Hartree-Fock (HF) and the B3LYP approach of the density functiona