scholarly journals Cation redistribution upon dehydration of Na58Y faujasite zeolite: a joint neutron diffraction and molecular simulation study

2015 ◽  
Vol 41 (16-17) ◽  
pp. 1371-1378 ◽  
Author(s):  
Wilfried Louisfrema ◽  
Benjamin Rotenberg ◽  
Florence Porcher ◽  
Jean-Louis Paillaud ◽  
Pascale Massiani ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Zeolite A ◽  
Cation Redistribution ◽  
Faujasite Zeolite

Evidence of a framework induced cation redistribution upon water adsorption in cobalt exchanged X faujasite zeolite: A joint experimental and simulation study

2011 ◽  
Vol 138 (1-3) ◽  
pp. 45-50 ◽  
Author(s):  
Marie Jeffroy ◽  
Elena Borissenko ◽  
Anne Boutin ◽  
Angela Di Lella ◽  
Florence Porcher ◽  
...  
Keyword(s):  
Simulation Study ◽  
Water Adsorption ◽  
Zeolite A ◽  
Cation Redistribution ◽  
Faujasite Zeolite

The Effect of Local Defects on Water Adsorption in Silicalite-1 Zeolite:  A Joint Experimental and Molecular Simulation Study

Langmuir ◽  
2007 ◽  
Vol 23 (20) ◽  
pp. 10131-10139 ◽  
Author(s):  
M. Trzpit ◽  
M. Soulard ◽  
J. Patarin ◽  
N. Desbiens ◽  
F. Cailliez ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Water Adsorption ◽  
Zeolite A ◽  
Local Defects

Water Condensation in Hydrophobic Silicalite-1 Zeolite:  A Molecular Simulation Study

2005 ◽  
Vol 109 (50) ◽  
pp. 24071-24076 ◽  
Author(s):  
Nicolas Desbiens ◽  
Anne Boutin ◽  
Isabelle Demachy
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Zeolite A ◽  
Water Condensation

Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane

2021 ◽  
Author(s):  
Srikanth Ravipati ◽  
Mirella Simoes Santos ◽  
Ioannis G. Economou ◽  
Amparo Galindo ◽  
George Jackson ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Monte Carlo ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Carbon Dioxide Sequestration

scholarly journals Insight into the origin of SARS-CoV-2 through structural analysis of receptor recognition: a molecular simulation study

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8718-8729
Author(s):  
Jixue Sun ◽  
Meijiang Liu ◽  
Na Yang
Keyword(s):  
Molecular Dynamics ◽  
Structural Analysis ◽  
Molecular Dynamics Simulations ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Receptor Recognition ◽  
Dynamics Simulations ◽  
Insight Into

The origin of SARS-CoV-2 through structural analysis of receptor recognition was investigated by molecular dynamics simulations.

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