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

Theoretical study of CO2 hydrogenation into formic acid on Lewis acid zeolites

2018 ◽  
Vol 20 (39) ◽  
pp. 25179-25185 ◽  
Author(s):  
Worawaran Thongnuam ◽  
Thana Maihom ◽  
Saowapak Choomwattana ◽  
Yuwanda Injongkol ◽  
Bundet Boekfa ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Density Functional Theory ◽  
Formic Acid ◽  
Density Functional ◽  
Theoretical Study ◽  
Co2 Hydrogenation ◽  
Functional Theory ◽  
Acid Zeolites ◽  
Acidic Zeolites ◽  
Hydrogenation Of Carbon Dioxide

The hydrogenation of carbon dioxide (CO2) to formic acid over Lewis acidic zeolites as catalyst has been investigated by means of density functional theory (DFT) with the M06-L functional.

Adsorption of Alkenes on Acidic Zeolites. Theoretical Study Based on the Electron Charge Density

2009 ◽  
Vol 113 (49) ◽  
pp. 13797-13807 ◽  
Author(s):  
M. Fernanda Zalazar ◽  
Darío J. R. Duarte ◽  
Nélida M. Peruchena
Keyword(s):  
Charge Density ◽  
Theoretical Study ◽  
Electron Charge ◽  
Electron Charge Density ◽  
Acidic Zeolites

Adsorption of H2O and H2S on the (100) surface of silicon. A theoretical study

1987 ◽  
Vol 84 ◽  
pp. 799-803 ◽  
Author(s):  
Vincenzo Barone ◽  
Francesco Lelj ◽  
Nino Russo ◽  
Marirosa Toscano
Keyword(s):  
Theoretical Study
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