A new structure for the surface complex of water on bridged hydroxyl sites is proposed which is stabilized by two hydrogen bonds. The energy for the formation of a surface hydronium ion is estimated to be 0.5f 20 kJ/mol. Tbis conclusion is based on quantum-chemical ab initio SCF calculations (DZP ba
✦ LIBER ✦
Ab initio quantum chemical study on the zeolite catalyzed transformations of para-xylene
✍ Scribed by J.E. Šponer; J. Šponer; J. Čejka
- Book ID
- 114141308
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 475 KB
- Volume
- 540
- Category
- Article
- ISSN
- 0166-1280
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