Solubility of Organic Compounds in Water/Octanol Systems. A Expanded Ensemble Molecular Dynamics Simulation Study of logPParameters

2001 ◽  
Vol 105 (32) ◽  
pp. 7775-7782 ◽  
Author(s):  
Alexander P. Lyubartsev ◽  
Sven P. Jacobsson ◽  
Göran Sundholm ◽  
Aatto Laaksonen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Organic Compounds ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Expanded Ensemble

Sorptive Characteristics of Organomontmorillonite toward Organic Compounds: A Combined LFERs and Molecular Dynamics Simulation Study

2011 ◽  
Vol 45 (15) ◽  
pp. 6504-6510 ◽  
Author(s):  
Runliang Zhu ◽  
Wangxiang Chen ◽  
Thomas V. Shapley ◽  
Marco Molinari ◽  
Fei Ge ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Organic Compounds ◽  
Simulation Study ◽  
Dynamics Simulation
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