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Journal of Chromatography A, ISSN 0021-9673, 2006, Volume 1126, Issue 1, pp. 143 - 194
This review focuses on the use of linear solvation energy relationships (LSERs) to understand the types and relative strength of the chemical interactions that... 
π | Linear solvation energy relationship | Polarizability | Solvent strength | Micellar electrokinetic capillary chromatography | Induced dipole | Solvophobic | Partition coefficient | Micellar liquid chromatography | Hydrogen bonding | Cavity formation | Enthalpy of retention | RPLC | MEKC | LSER | Dipole | NPLC | Retention mechanism | Microheterogeneity | Entropy of retention | Hydrophobic | Partition | Dielectric constant | Preferential solvation | Normal phase | Solvatochromism | Regular solution | Dispersion | Gas chromatography | α | β | Adsorption | Linear free energy | Solubility parameter | Reversed phase | GLC | PHASE LIQUID-CHROMATOGRAPHY | CHEMISTRY, ANALYTICAL | HYDROGEN-BOND ACIDITY | linear solvation energy relationship | preferential solvation | partition coefficient | gas chromatography | enthalpy of retention | dielectric constant | regular solution | partition | linear free energy | hydrophobic | alpha | NON-AQUEOUS SOLVENTS | MICELLAR ELECTROKINETIC CHROMATOGRAPHY | reversed phase | dipole | solubility parameter | beta | retention mechanism | adsorption | induced dipole | cavity formation | polarizability | SOLUTE-SOLVENT INTERACTIONS | BIOCHEMICAL RESEARCH METHODS | solvent strength | SUPERCRITICAL-FLUID CHROMATOGRAPHY | INVERSE GAS-CHROMATOGRAPHY | hydrogen bonding | micellar electrokinetic capillary chromatography | entropy of retention | solvophobic | micellar liquid chromatography | microheterogeneity | LOCAL EMPIRICAL RULES | dispersion | SOLVATOCHROMIC COMPARISON METHOD | SCALED-PARTICLE THEORY | normal phase | solvatochromism | Models, Theoretical | Solvents - chemistry | Chemical Phenomena | Chromatography - methods | Chromatography, Liquid | Chromatography, Gas | Chromatography, Micellar Electrokinetic Capillary | Chemistry, Physical | Solvents | Thermodynamics | Liquid chromatography | Analysis
Journal Article
Journal of Chromatography A, ISSN 0021-9673, 08/2014, Volume 1356, pp. 96 - 104
•Chromatograms are calculated for distorted gradients and non-LSS retention models.•They require the accurate measurement of the excess adsorption isotherm of... 
Distorted gradients | Equilibrium dispersive model | Non-linear solvation strength model | Computer simulation | Gradient chromatography | Acetonitrile | PHASE LIQUID-CHROMATOGRAPHY | DEFINITION | CHEMISTRY, ANALYTICAL | PROFILES | FINITE-ELEMENTS | BIOCHEMICAL RESEARCH METHODS | COMPONENTS | ELUTION | DEAD-VOLUME | EXCESS ADSORPTION | SOLVENTS | HPLC | Adsorption | Analysis
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 01/2019, Volume 119, Issue 1, pp. e25710 - n/a
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 08/2014, Volume 35, Issue 21, pp. 1592 - 1608
ERmod is a software package to efficiently and approximately compute the solvation free energy using the method of energy representation. Molecular simulation... 
solvation free energy | molecular simulation | solution theory | energy representation | distribution function | MOLECULAR-DYNAMICS | LINEAR-RESPONSE | PARTICLE MESH EWALD | SIDE-CHAIN ANALOGS | CHEMISTRY, MULTIDISCIPLINARY | INTERACTION SITE MODEL | IONIC HYDRATION | WATER MODELS | LIQUID WATER | FORCE-FIELD | AMINO-ACID-ANALOGS
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 07/2014, Volume 1040-1041, pp. 112 - 119
[Display omitted] •Cavity-field effects within the PCM are applied to the RT-TDDFT.•Calculated transition properties are in agreement with the PCM... 
Real-time TDDFT | Cavity field effects | Polarizable continuum model | LINEAR-RESPONSE | CHEMISTRY, PHYSICAL | RAMAN | OPTICAL-RESPONSE | MOLECULES | VIBRATIONAL INTENSITIES | CIRCULAR-DICHROISM | PURE LIQUIDS | BASIS-SETS | INFRARED INTENSITIES | ABSORPTION | Density functionals | Electromagnetic fields
Journal Article
Journal of Chromatography A, ISSN 0021-9673, 04/2015, Volume 1390, pp. 86 - 94
•On-column peak movements in gradient LC were simulated using simple Excel spreadsheets.•Zone broadening and compression effects were visualized by calculating... 
Retention prediction | Repetitive injection method | Linear solvation strength theory | Gradient compression | Chromatography | Microfluidic | CHEMISTRY, ANALYTICAL | RETENTION | VOLUME | BIOCHEMICAL RESEARCH METHODS | SOLVENT | ELUTION | SEPARATION | Liquid chromatography | Microfluidics
Journal Article