Microscopic density functional theory of wetting and drying of a solid substrate by an explicit solvent model of ionic solutions

2009 ◽  
Vol 107 (23-24) ◽  
pp. 2609-2624 ◽  
Author(s):  
Anna Oleksy ◽  
Jean-Pierre Hansen
2016 ◽  
Vol 45 (39) ◽  
pp. 15517-15522 ◽  
Author(s):  
Lindsay E. Roy ◽  
Leigh R. Martin

Using Density Functional Theory calculations in combination with explicit solvent and a continuum solvent model, this work sets out to understand the coordination environment and relevant thermodynamics of La(iii)-lactate complexes.


2010 ◽  
Vol 132 (12) ◽  
pp. 124101 ◽  
Author(s):  
Matthew G. Knepley ◽  
Dmitry A. Karpeev ◽  
Seth Davidovits ◽  
Robert S. Eisenberg ◽  
Dirk Gillespie

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