scholarly journals New linear solvation energy relationships for empirical solvent scales using the Kamlet–Abboud–Taft parameter sets in nematic liquid crystals

RSC Advances ◽  
2018 ◽  
Vol 8 (40) ◽  
pp. 22835-22845 ◽  
Author(s):  
Amid Ranjkesh ◽  
Meisam Hagh Parast ◽  
Olga Strzeżysz ◽  
Mohammad Sadegh Zakerhamidi ◽  
Tae-Hoon Yoon
Keyword(s):  
Liquid Crystal ◽  
Liquid Crystals ◽  
Nematic Liquid Crystal ◽  
Nematic Liquid Crystals ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationships ◽  
Energy Relationships ◽  
Linear Solvation Energy ◽  
Linear Solvation

A new linear solvation energy relationships of empirical solvent scales with the Kamlet–Abboud–Taft parameters sets for nematic liquid crystal.

Computational Parameters in Correlation Analysis: Gas-Water Distribution Coefficient

1999 ◽  
Vol 64 (11) ◽  
pp. 1727-1747 ◽  
Author(s):  
George R. Famini ◽  
Dalia Benyamin ◽  
Christina Kim ◽  
Rattiporn Veerawat ◽  
Leland Y. Wilson
Keyword(s):  
Correlation Analysis ◽  
Distribution Coefficient ◽  
Water Distribution ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationships ◽  
Linear Solvation Energy Relationship ◽  
Energy Relationships ◽  
Linear Solvation Energy ◽  
Water Equilibrium ◽  
Linear Solvation

Theoretical linear solvation energy relationships (TLSER) combine computational molecular parameters with the linear solvation energy relationship (LSER) of Kamlet and Taft to characterize and predict properties of compounds. This paper examines the correlation of the gas-water equilibrium constant for 423 compounds with the TLSER parameters. Also, it describes new parameters designed to improve the TLSER information content.

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