A molecular simulation study on the adhesion behavior of a functionalized polyethylene-functionalized graphene interface

2015 ◽  
Vol 17 (41) ◽  
pp. 27414-27427 ◽  
Author(s):  
Sousa Javan Nikkhah ◽  
Mohammad Reza Moghbeli ◽  
Seyed Majid Hashemianzadeh
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Adhesion Energy ◽  
Functionalized Graphene ◽  
Adhesion Behavior ◽  
Interfacial Separation ◽  
Graphene Interface

Snapshots and the adhesion energy/interfacial separation plot of PE20OH/G3COOH.

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.

Synthesis of zeolite-templated carbons for methane storage: A molecular simulation study

Carbon ◽  
2021 ◽  
Vol 175 ◽  
pp. 609
Author(s):  
Hideki Tanaka ◽  
Tatsuru Seto ◽  
Hirotomo Nishihara ◽  
Takashi Kyotani ◽  
Minoru T. Miyahara
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Methane Storage
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