Nitrogen and Water Adsorption in Aluminum Methylphosphonate α:  A Molecular Simulation Study

Langmuir ◽  
2006 ◽  
Vol 22 (7) ◽  
pp. 3097-3104 ◽  
Author(s):  
Carmelo Herdes ◽  
Zhi Lin ◽  
Anabela Valente ◽  
João A. P. Coutinho ◽  
Lourdes F. Vega
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Water Adsorption

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

On the mechanism of water adsorption in carbon micropores – A molecular simulation study

2019 ◽  
Vol 357 ◽  
pp. 358-366 ◽  
Author(s):  
Lumeng Liu ◽  
Yonghong Zeng ◽  
Shiliang Johnathan Tan ◽  
Hui Xu ◽  
D.D. Do ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Water Adsorption

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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