scholarly journals Simulation of Inelastic Neutron Scattering Spectra Directly from Molecular Dynamics Trajectories

2020 ◽  
Vol 16 (12) ◽  
pp. 7702-7708
Author(s):  
Y. Q. Cheng ◽  
A. I. Kolesnikov ◽  
A. J. Ramirez-Cuesta
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Scattering Spectra

An inelastic neutron scattering, Raman, far-infrared, and molecular dynamics study of the intermolecular dynamics of two ionic liquids

2020 ◽  
Vol 22 (16) ◽  
pp. 9074-9085 ◽  
Author(s):  
Thamires A. Lima ◽  
Vitor H. Paschoal ◽  
Rafael S. Freitas ◽  
Luiz F. O. Faria ◽  
Zhixia Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Power Spectrum ◽  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Far Infrared ◽  
Md Simulations ◽  
Inelastic Neutron ◽  
Tetraalkylammonium Cations

The THz dynamics of ionic liquids based on tetraalkylammonium cations were investigated by a combined usage of inelastic neutron scattering (INS), Raman, and far-infrared (FIR) spectroscopies and the power spectrum calculated by molecular dynamics (MD) simulations.

Infrared, Raman, and Inelastic Neutron Scattering Spectra of Dodecahedrane:  anIhMolecule inThSite Symmetry

2005 ◽  
Vol 109 (15) ◽  
pp. 3418-3424 ◽  
Author(s):  
Bruce S. Hudson ◽  
Damian G. Allis ◽  
Stewart F. Parker ◽  
Anibal J. Ramirez-Cuesta ◽  
Henryk Herman ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Scattering Spectra

Molecular dynamics in gaseous and solid methane studied by the inelastic neutron scattering method

Physica ◽  
1969 ◽  
Vol 41 (3) ◽  
pp. 397-408 ◽  
Author(s):  
A. Bajorek ◽  
I. Natkaniec ◽  
K. Parliński ◽  
M. Sudnik-Hrynkiewicz ◽  
J.A. Janik ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Scattering Method ◽  
Solid Methane
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