scholarly journals Erratum: Molecular-dynamics approach for studying the nonequilibrium behavior of x-ray-heated solid-density matter [Phys. Rev. E 96 , 023205 (2017)]

2021 ◽  
Vol 103 (2) ◽  
Author(s):  
Malik Muhammad Abdullah ◽  
Anurag ◽  
Zoltan Jurek ◽  
Sang-Kil Son ◽  
Robin Santra
Keyword(s):  
Molecular Dynamics ◽  
X Ray ◽  
Solid Density ◽  
Density Matter

scholarly journals Molecular-dynamics approach for studying the nonequilibrium behavior of x-ray-heated solid-density matter

2017 ◽  
Vol 96 (2) ◽  
Author(s):  
Malik Muhammad Abdullah ◽  
Anurag ◽  
Zoltan Jurek ◽  
Sang-Kil Son ◽  
Robin Santra
Keyword(s):  
Molecular Dynamics ◽  
X Ray ◽  
Solid Density ◽  
Density Matter

Real-Space X-Ray Pair Distribution Function Analysis and Molecular-Dynamics Modelling of Diflunisal Channel Hydrates

2020 ◽  
Author(s):  
Anuradha Pallipurath ◽  
Francesco Civati ◽  
Jonathan Skelton ◽  
Dean Keeble ◽  
Clare Crowley ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Distribution Function ◽  
Structural Dynamics ◽  
First Principles ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Real Space ◽  
X Ray ◽  
Dynamics Modelling ◽  
Dynamics Simulations

X-ray pair distribution function analysis is used with first-principles molecular dynamics simulations to study the co-operative H<sub>2</sub>O binding, structural dynamics and host-guest interactions in the channel hydrate of diflunisal.

Liquid Structure of 1-Ethyl-3-methylimidazolium Alkyl Sulfates by X-ray Scattering and Molecular Dynamics

2012 ◽  
Vol 116 (45) ◽  
pp. 13448-13458 ◽  
Author(s):  
Marina Macchiagodena ◽  
Fabio Ramondo ◽  
Alessandro Triolo ◽  
Lorenzo Gontrani ◽  
Ruggero Caminiti
Keyword(s):  
Molecular Dynamics ◽  
Liquid Structure ◽  
X Ray ◽  
X Ray Scattering ◽  
Alkyl Sulfates ◽  
Ray Scattering
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