Adsorption of small molecules on the [Zn-Zn]2+ linkage in zeolite. A DFT study of ferrierite

2017 ◽  
Vol 656 ◽  
pp. 115-125 ◽  
Author(s):  
Lubomir Benco
Keyword(s):  
Small Molecules ◽  
Dft Study ◽  
Zeolite A

Effect of Si/Al ratio on tetralin adsorption on Y zeolite: a DFT study

2017 ◽  
Vol 43 (12) ◽  
pp. 945-952 ◽  
Author(s):  
Yajun Wang ◽  
Chaohe Yang ◽  
Yibin Liu ◽  
Xiang Feng ◽  
Hui Fu ◽  
...  
Keyword(s):  
Dft Study ◽  
Zeolite A ◽  
Y Zeolite

scholarly journals Inside Cover: Oxidative Dehydrogenation of Propane over a VO2-Exchanged MCM-22 Zeolite: A DFT Study (ChemPhysChem 16/2010)

ChemPhysChem ◽  
2010 ◽  
Vol 11 (16) ◽  
pp. 3370-3370
Author(s):  
Sippakorn Wannakao ◽  
Bundet Boekfa ◽  
Pipat Khongpracha ◽  
Michael Probst ◽  
Jumras Limtrakul
Keyword(s):  
Oxidative Dehydrogenation ◽  
Dft Study ◽  
Zeolite A ◽  
Oxidative Dehydrogenation Of Propane

Applied biaxial strain induced tunable sensing performance of green phosphorene monolayer towards small molecules: A DFT study

2021 ◽  
Vol 536 ◽  
pp. 147759
Author(s):  
Zhuo Mao ◽  
Shengjie Dong ◽  
Jiesen Li ◽  
Xiang Lin ◽  
Xiaodong Jian ◽  
...  
Keyword(s):  
Small Molecules ◽  
Dft Study ◽  
Biaxial Strain ◽  
Sensing Performance

scholarly journals Room-Temperature Activation of Methane and Direct Formations of Acetic Acid and Methanol on Zn-ZSM-5 Zeolite: A Mechanistic DFT Study

2020 ◽  
Vol 93 (3) ◽  
pp. 345-354 ◽  
Author(s):  
Muhammad Haris Mahyuddin ◽  
Seiya Tanaka ◽  
Yoshihito Shiota ◽  
Kazunari Yoshizawa
Keyword(s):  
Acetic Acid ◽  
Room Temperature ◽  
Dft Study ◽  
Zeolite A ◽  
Temperature Activation

Relationship between acidity and catalytic reactivity of faujasite zeolite: A periodic DFT study

2016 ◽  
Vol 344 ◽  
pp. 570-577 ◽  
Author(s):  
Chong Liu ◽  
Guanna Li ◽  
Emiel J.M. Hensen ◽  
Evgeny A. Pidko
Keyword(s):  
Dft Study ◽  
Zeolite A ◽  
Catalytic Reactivity ◽  
Periodic Dft ◽  
Faujasite Zeolite

Propan-2-ol dehydration on H-ZSM-5 and H-Y zeolite: a DFT study

2012 ◽  
Vol 108 (2) ◽  
pp. 565-582 ◽  
Author(s):  
Antonio Prestianni ◽  
Remedios Cortese ◽  
Dario Duca
Keyword(s):  
Dft Study ◽  
Zeolite A ◽  
Y Zeolite
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