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Physical Chemistry Chemical Physics : PCCP
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April 14, 2011
Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity
Nuno M Garrido, Miguel Jorge, António J Queimada, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
1-Octanol/Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies
Nuno M Garrido, António J Queimada, Miguel Jorge, et al.
Journal of Computational Chemistry
|
December 30, 2016
Predicting hydrophobic solvation by molecular simulation: 1. Testing united-atom alkane models
Miguel Jorge, Nuno M Garrido, Carlos J V Simões, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 2, 2011
Predicting hydration Gibbs energies of alkyl-aromatics using molecular simulation: a comparison of current force fields and the development of a new parameter set for accurate solvation data
Nuno M Garrido, Miguel Jorge, António J Queimada, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
April 14, 2011
Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity
Nuno M Garrido, Miguel Jorge, António J Queimada, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
1-Octanol/Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies
Nuno M Garrido, António J Queimada, Miguel Jorge, et al.
Journal of Computational Chemistry
|
December 30, 2016
Predicting hydrophobic solvation by molecular simulation: 1. Testing united-atom alkane models
Miguel Jorge, Nuno M Garrido, Carlos J V Simões, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 2, 2011
Predicting hydration Gibbs energies of alkyl-aromatics using molecular simulation: a comparison of current force fields and the development of a new parameter set for accurate solvation data
Nuno M Garrido, Miguel Jorge, António J Queimada, et al.
Page
of 1