Size effects in the infrared spectra of NH3 ice nanoparticles studied by a combined molecular dynamics and vibrational exciton approach

2006 ◽  
Vol 125 (14) ◽  
pp. 144501 ◽  
Author(s):  
George Firanescu ◽  
David Luckhaus ◽  
Ruth Signorell
Keyword(s):  
Molecular Dynamics ◽  
Infrared Spectra ◽  
Size Effects

Finite Temperature Infrared Spectra from Polarizable Molecular Dynamics Simulations

2014 ◽  
Vol 10 (8) ◽  
pp. 3190-3199 ◽  
Author(s):  
David Semrouni ◽  
Ashwani Sharma ◽  
Jean-Pierre Dognon ◽  
Gilles Ohanessian ◽  
Carine Clavaguéra
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Infrared Spectra ◽  
Finite Temperature ◽  
Dynamics Simulations

scholarly journals Shear Viscosity Computed from the Finite-Size Effects of Self-Diffusivity in Equilibrium Molecular Dynamics

2018 ◽  
Vol 14 (11) ◽  
pp. 5959-5968 ◽  
Author(s):  
Seyed Hossein Jamali ◽  
Remco Hartkamp ◽  
Christos Bardas ◽  
Jakob Söhl ◽  
Thijs J. H. Vlugt ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Shear Viscosity ◽  
Size Effects ◽  
Finite Size ◽  
Finite Size Effects
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