Molecular dynamics simulations of the structural and dynamic properties of graphite-supported bimetallic transition metal clusters

2005 ◽  
Vol 72 (19) ◽  
Author(s):  
Subramanian K. R. S. Sankaranarayanan ◽  
Venkat R. Bhethanabotla ◽  
Babu Joseph
Keyword(s):  
Molecular Dynamics ◽  
Transition Metal ◽  
Molecular Dynamics Simulations ◽  
Metal Clusters ◽  
Dynamic Properties ◽  
Transition Metal Clusters ◽  
Dynamics Simulations

Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations

2021 ◽  
Author(s):  
Sachini P. Kadaoluwa Pathirannahalage ◽  
Nastaran Meftahi ◽  
Aaron Elbourne ◽  
Alessia C. G. Weiss ◽  
Chris F. McConville ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dynamic Properties ◽  
Systematic Comparison ◽  
Water Models ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Metal Clusters Supported on Fishbone Carbon Nanofibers

2010 ◽  
Vol 114 (8) ◽  
pp. 3522-3530 ◽  
Author(s):  
Carlos F. Sanz-Navarro ◽  
Per-Olof Åstrand ◽  
De Chen ◽  
Magnus Rønning ◽  
Adri C. T. van Duin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Carbon Nanofibers ◽  
Metal Clusters ◽  
Dynamics Simulations

Simulation study on the structural and dynamic properties of ethanol confined in nanochannels

2020 ◽  
Vol 44 (29) ◽  
pp. 12595-12602
Author(s):  
Xiuting Chen ◽  
Jianzhuo Zhu ◽  
Chao Xu ◽  
Qiuming Peng ◽  
Xingyuan Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Simulation Study ◽  
Dynamic Properties ◽  
Dynamics Simulations

The structural and dynamic properties of ethanol molecules in nanochannels of various diameters have been studied using molecular dynamics simulations.

Microscopic properties of ionic liquid/organic semiconductor interfaces revealed by molecular dynamics simulations

2018 ◽  
Vol 20 (18) ◽  
pp. 13075-13083 ◽  
Author(s):  
Yasuyuki Yokota ◽  
Hiroo Miyamoto ◽  
Akihito Imanishi ◽  
Jun Takeya ◽  
Kouji Inagaki ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Organic Semiconductors ◽  
Organic Semiconductor ◽  
Dynamic Properties ◽  
Semiconductor Interfaces ◽  
Dynamics Simulations

Structural and dynamic properties of an ionic liquid are compared on several organic semiconductors.

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