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 Brönsted acid site (T12), has been investigated by Hartree-Fock (HF) and the B3LYP approach of the density functiona
A DFT Study of the Interaction between Microhydrated Anions and Naphthalendiimides
✍ Scribed by Alba Campo-Cacharrón; Prof. Enrique M. Cabaleiro-Lago; Prof. Jesús Rodríguez-Otero
- Publisher
- John Wiley and Sons
- Year
- 2011
- Tongue
- English
- Weight
- 689 KB
- Volume
- 13
- Category
- Article
- ISSN
- 1439-4235
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