Low-frequency vibrational properties of lysozyme in sugar aqueous solutions: A Raman scattering and molecular dynamics simulation study

2009 ◽  
Vol 131 (24) ◽  
pp. 245103 ◽  
Author(s):  
A. Lerbret ◽  
F. Affouard ◽  
P. Bordat ◽  
A. Hédoux ◽  
Y. Guinet ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Raman Scattering ◽  
Aqueous Solutions ◽  
Simulation Study ◽  
Low Frequency ◽  
Dynamics Simulation ◽  
Vibrational Properties

Molecular dynamics simulation study of distribution and dynamics of aqueous solutions of uranyl ions: the effect of varying temperature and concentration

2015 ◽  
Vol 17 (41) ◽  
pp. 27840-27850 ◽  
Author(s):  
Manish Chopra ◽  
Niharendu Choudhury
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aqueous Solutions ◽  
Molecular Dynamics Simulations ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Uranyl Ions ◽  
Orientational Distribution ◽  
Dynamics Simulations

Orientational distribution and dynamics of aqueous solutions of uranyl ions are studied at different concentrations and temperatures using molecular dynamics simulations.

Dynamics of actinyl ions in water: a molecular dynamics simulation study

2014 ◽  
Vol 16 (17) ◽  
pp. 8060-8069 ◽  
Author(s):  
Surya Prakash Tiwari ◽  
Neeraj Rai ◽  
Edward J. Maginn
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aqueous Solutions ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Separation Processes

The dynamics of actinyl ions (AnO2n+) in aqueous solutions is important not only for the design of advanced separation processes but also for understanding the fate of actinides in the environment.

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