scholarly journals 1J1015 Web application for fast solvation free energy calculation using PC cluster

2002 ◽  
Vol 42 (supplement2) ◽  
pp. S54
Author(s):  
Y. Yamashita ◽  
M. Masuya
Keyword(s):  
Free Energy ◽  
Web Application ◽  
Solvation Free Energy ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Pc Cluster

scholarly journals A generalized G-SFED continuum solvation free energy calculation model

2013 ◽  
Vol 110 (8) ◽  
pp. E662-E667 ◽  
Author(s):  
S. Lee ◽  
K.-H. Cho ◽  
Y.-M. Kang ◽  
H. A. Scheraga ◽  
K. T. No
Keyword(s):  
Free Energy ◽  
Solvation Free Energy ◽  
Calculation Model ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Continuum Solvation

Free Energy Calculation Methods of Biomolecules

2011 ◽  
Vol 27 (5) ◽  
pp. 395-402 ◽  
Author(s):  
Changjun CHEN ◽  
Yanzhao HUANG ◽  
Yi XIAO
Keyword(s):  
Free Energy ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Calculation Methods

scholarly journals Predicting gas selectivity in organic ionic plastic crystals by free energy calculations

RSC Advances ◽  
2021 ◽  
Vol 11 (32) ◽  
pp. 19623-19629
Author(s):  
Vinay S. Kandagal ◽  
Jennifer M. Pringle ◽  
Maria Forsyth ◽  
Fangfang Chen
Keyword(s):  
Free Energy ◽  
Gas Separation ◽  
Free Energy Calculations ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Plastic Crystal ◽  
Plastic Crystals ◽  
New Type ◽  
Gas Molecules ◽  
Gas Selectivity

The free energy calculation shows the different free energy changes of the adsorption and absorption of gas molecules into an organic ionic plastic crystal, successfully predicting the gas selectivity of this new type of gas separation material.

Sign in / Sign up

Export Citation Format

Share Document