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Linear Solvation–Energy Relationships (LSER) and Equation-of-State Thermodynamics: On the Extraction of Thermodynamic Information from the LSER Database [PDF]

open access: diamondLiquids, 2023
There is a remarkable wealth of thermodynamic information in freely accessible databases, the LSER database being a classical example. The LSER, or Abraham solvation parameter model, is a very successful predictive tool in a variety of applications in ...
Costas Panayiotou   +3 more
doaj   +2 more sources

Linear solvation energy relationships (LSER) for adsorption of organic compounds by carbon nanotubes [PDF]

open access: bronzeWater Research, 2016
The objective of this paper was to create a comprehensive database for the adsorption of organic compounds by carbon nanotubes (CNTs) and to use the Linear Solvation Energy Relationship (LSER) technique for developing predictive adsorption models of organic compounds (OCs) by multi-walled carbon nanotubes (MWCNTs) and single-walled carbon nanotubes ...
Gamze, Ersan   +2 more
openaire   +4 more sources

Quantum Chemical (QC) Calculations and Linear Solvation Energy Relationships (LSER): Hydrogen-Bonding Calculations with New QC-LSER Molecular Descriptors

open access: greenLiquids
A new method, based on quantum chemical calculations, is proposed for the thermodynamically consistent reformulation of QSPR-type Linear Free-Energy Relationship (LFER) models.
Costas Panayiotou
doaj   +4 more sources

A linear solvation energy relationship to predict vapor pressure from molecular structure [PDF]

open access: goldJournal of the Brazilian Chemical Society, 2005
Vapor pressures (in Pa at 298 K) of organic liquids were found to correlate (R2 = 0.986) with empirical molecular parameters by the relationship: log Pvap = 7.86 - 3.54 V - 1.17 E - 1.52 (S + l) - 3.64 (h × A × B) where V, E, S, A, and B are solute parameters developed by Abraham and coworkers representing, respectively, the characteristic volume ...
Quina, Frank H.   +2 more
openaire   +5 more sources

Linear Solvation Energy Relationships for Adsorption of Aromatic Organic Compounds by Microplastics

open access: greenSSRN Electronic Journal, 2023
Dilara Hatinoglu   +4 more
  +6 more sources

Comparative characterization of hydrophilic interaction liquid chromatography columns by linear solvation energy relationships

open access: greenJournal of Chromatography A, 2013
22 commercially available and home-made stationary phases with different surface modifications were compared under hydrophilic interaction liquid chromatographic (HILIC) conditions. The column set comprised neutral, basic, acidic, zwitterionic and mixed surface modifications.
Schuster, Georg, Lindner, Wolfgang
openaire   +5 more sources

Further observations regarding linear relationships in gibbs energies of solvation

open access: greenBulletin of the Chemical Society of Ethiopia, 1992
BuII. Chem. Soc. Ethiop. 1992, 6(2) 123-126.
Theodros Solomon
openaire   +3 more sources

Antioxidation Mechanisms of Catechin, Epicatechin and Quercetin Using Linear Solvation Energy Relationship

open access: diamondAsian Journal of Chemistry, 2013
Y. Jin   +5 more
openaire   +2 more sources

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