scholarly journals Influence of Confinement on Barriers for Alkoxide Formation in Acidic Zeolites

ChemCatChem ◽  
2021 ◽  
Author(s):  
Michal Fečík ◽  
Philipp N. Plessow ◽  
Felix Studt
Keyword(s):  
Acidic Zeolites

A DFT Study of Isomerization and Transalkylation Reactions of Aromatic Species Catalyzed by Acidic Zeolites

2001 ◽  
Vol 202 (1) ◽  
pp. 141-155 ◽  
Author(s):  
Xavier Rozanska ◽  
Xavier Saintigny ◽  
Rutger A van Santen ◽  
François Hutschka
Keyword(s):  
Dft Study ◽  
Aromatic Species ◽  
Acidic Zeolites

Benzylation of arylcyanamides catalyzed by acidic zeolites

2013 ◽  
Vol 377 ◽  
pp. 7-15 ◽  
Author(s):  
Davood Azarifar ◽  
Fatemeh Soleimanei ◽  
Farhad Aliani
Keyword(s):  
Acidic Zeolites

Adsorption of CH3SH in Acidic Zeolites:  A Theoretical Study

2004 ◽  
Vol 108 (18) ◽  
pp. 5620-5626 ◽  
Author(s):  
Humberto Soscún ◽  
Olga Castellano ◽  
Javier Hernández
Keyword(s):  
Theoretical Study ◽  
Acidic Zeolites

scholarly journals Including dispersion in density functional theory for adsorption on flat oxide surfaces, in metal–organic frameworks and in acidic zeolites

2020 ◽  
Vol 22 (14) ◽  
pp. 7577-7585 ◽  
Author(s):  
Florian R. Rehak ◽  
GiovanniMaria Piccini ◽  
Maristella Alessio ◽  
Joachim Sauer
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Van Der Waals ◽  
Metal Organic Frameworks ◽  
Many Body ◽  
Functional Theory ◽  
Metal Organic ◽  
The Many ◽  
Acidic Zeolites ◽  
Better Than

Contrary to common believe, for eight adsorption cases, neither D3 or TS are an improvement compared to D2 nor van der Waals functionals or dDsC. Only the many body approaches are slightly better than D2(Ne) which uses Ne parameters for Mg2+ ions.

Catalytic Pyrolysis of Raw and Thermally Treated Lignin Using Different Acidic Zeolites

2014 ◽  
Vol 28 (7) ◽  
pp. 4532-4538 ◽  
Author(s):  
Sushil Adhikari ◽  
Vaishnavi Srinivasan ◽  
Oladiran Fasina
Keyword(s):  
Catalytic Pyrolysis ◽  
Acidic Zeolites ◽  
Thermally Treated

Selective Carbonylation of Dimethyl Ether to Methyl Acetate Catalyzed by Acidic Zeolites

2006 ◽  
Vol 45 (10) ◽  
pp. 1617-1620 ◽  
Author(s):  
Patricia Cheung ◽  
Aditya Bhan ◽  
Glenn J. Sunley ◽  
Enrique Iglesia
Keyword(s):  
Dimethyl Ether ◽  
Methyl Acetate ◽  
Acidic Zeolites
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