Molecular dynamics simulation of atactic polystyrene. 2. Comparison with neutron scattering data

1994 ◽  
Vol 27 (20) ◽  
pp. 5674-5680 ◽  
Author(s):  
Hidemine Furuya ◽  
M. Mondello ◽  
Hyung-Jin Yang ◽  
Ryong-Joon Roe ◽  
R. W. Erwin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Dynamics Simulation ◽  
Scattering Data ◽  
Atactic Polystyrene

Molecular Dynamics Simulation of Atactic Polystyrene. 1. Comparison with X-ray Scattering Data

1994 ◽  
Vol 27 (13) ◽  
pp. 3566-3574 ◽  
Author(s):  
M. Mondello ◽  
Hyung-Jin Yang ◽  
Hidemine Furuya ◽  
Ryong-Joon Roe
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Scattering Data ◽  
X Ray ◽  
X Ray Scattering ◽  
Atactic Polystyrene ◽  
Ray Scattering

scholarly journals Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study

2016 ◽  
Vol 18 (26) ◽  
pp. 17294-17302 ◽  
Author(s):  
Alexander J. O'Malley ◽  
Victoria García Sakai ◽  
Ian P. Silverwood ◽  
Nikolaos Dimitratos ◽  
Stewart F. Parker ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Simulation Study ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering

The diffusion of methanol in zeolite HY is studied using tandem quasielastic neutron scattering (QENS) experiments and molecular dynamics (MD) simulations at 300–400 K.

Self-similar multiscale structure of lignin revealed by neutron scattering and molecular dynamics simulation

2011 ◽  
Vol 83 (6) ◽  
Author(s):  
Loukas Petridis ◽  
Sai Venkatesh Pingali ◽  
Volker Urban ◽  
William T. Heller ◽  
Hugh M. O’Neill ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Dynamics Simulation ◽  
Multiscale Structure ◽  
Self Similar
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