scholarly journals Molecular dynamics simulations of aqueous glycine solutions

CrystEngComm ◽  
2017 ◽  
Vol 19 (47) ◽  
pp. 7197-7206 ◽  
Author(s):  
Yuriy G. Bushuev ◽  
Svetlana V. Davletbaeva ◽  
Oscar I. Koifman
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Size And Shape ◽  
Dynamics Simulations

Pre-nucleation clusters of glycine are strongly hydrated dynamic solutes, which change size and shape within hundreds of picoseconds.

scholarly journals Size and shape effects on the thermodynamic properties of nanoscale volumes of water

2017 ◽  
Vol 19 (13) ◽  
pp. 9016-9027 ◽  
Author(s):  
Bjørn A. Strøm ◽  
Jean-Marc Simon ◽  
Sondre K. Schnell ◽  
Signe Kjelstrup ◽  
Jianying He ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Thermodynamic Properties ◽  
Molecular Dynamics Simulations ◽  
Size And Shape ◽  
Shape Effects ◽  
Dynamics Simulations

Size and shape effects on the thermodynamic properties of nanoscale volumes of water in molecular dynamics simulations, based on the nanothermodynamic formalism of Terrell L. Hill.

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