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Fluid Phase Equilibria, ISSN 0378-3812, 10/2016, Volume 425, pp. 244 - 251
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 04/2009, Volume 30, Issue 5, pp. 799 - 810
Journal Article
The Journal of Chemical Thermodynamics, ISSN 0021-9614, 2005, Volume 37, Issue 6, pp. 603 - 619
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 08/2018, Volume 706, pp. 308 - 310
[Display omitted] •Surface tensions are directly predicted from COSMO-RS theory.•A simple desolvation-based approximation seems reasonable for many organic... 
Surface tension | COSMO-RS | Desolvation | Prediction | ENERGY | APPROXIMATION | MODELS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | LIQUID-VAPOR INTERFACE | Surface active agents | Hydrogen | Hydrogen bonding | Analysis
Journal Article
Journal of Molecular Liquids, ISSN 0167-7322, 12/2016, Volume 224, pp. 551 - 561
Densities ρ, and ultrasonic velocities, u of binary mixtures of pure dichloromethane (DCM) with methanol (Me-OH), ethanol (Et-OH), propan-1-ol (Pr-OH) and... 
COSMO-RS | Density | Molecular interactions | σ-Profile | ERAS model | THERMODYNAMIC PROPERTIES | REFRACTIVE-INDEXES | DIMETHOXYMETHANE | ENTHALPIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | sigma-Profile | LIQUID MIXTURES | MODEL | DENSITIES | TEMPERATURE | FORMAMIDE | VISCOSITIES
Journal Article
MOLECULAR PHARMACEUTICS, ISSN 1543-8384, 11/2019, Volume 16, Issue 11, pp. 4661 - 4669
Lipid-based delivery is a key technology for dealing with the challenges of poorly soluble drugs. Therefore, prediction of drug solubility in lipid based... 
MEDICINE, RESEARCH & EXPERIMENTAL | lipid-based formulations | SUPERSATURATION | EXCIPIENTS | prediction of solubility | DIGESTION | mono- and triglycerides | THERMODYNAMICS | WATER-SOLUBLE DRUGS | lipid-based excipients | solubility | PHARMACOLOGY & PHARMACY | COSMO-RS | ABSORPTION | SELECTION | poorly soluble drug | EQUATION
Journal Article
Fluid Phase Equilibria, ISSN 0378-3812, 10/2017, Volume 450, pp. 126 - 132
Enantiomeric ratios for the esterification reaction of 2-phenylpropionic acid with 1-octanol catalyzed by immobilized Candida antarctica lipase B in sixteen... 
Activity coefficient | COSMO-RS | Enantioselectivity | Enzyme biocatalysis | Lipase | ENERGY | APPROXIMATION | RESOLUTION | ESTERIFICATION | CHEMISTRY, PHYSICAL | THERMOPHILIC LIPASE | ENGINEERING, CHEMICAL | SUBSTRATE-SPECIFICITY | THERMODYNAMICS | ANTARCTICA LIPASE-B | ORGANIC-SOLVENTS | INDUSTRIAL BIOCATALYSIS | BASIS-SETS | Enantiomers | Enzymes | Analysis | Catalysis
Journal Article
ACS Sustainable Chemistry & Engineering, ISSN 2168-0485, 10/2016, Volume 4, Issue 10, pp. 5640 - 5650
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 01/2006, Volume 27, Issue 1, pp. 11 - 19
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 08/2014, Volume 10, Issue 8, pp. 3401 - 3408
The interfacial tension between two liquids is the free energy per unit surface area required to create that interface. Interfacial tension is a determining... 
MIXTURES | MOLECULAR-DYNAMICS | ENERGY | EQUILIBRIA | APPROXIMATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | LIQUID-LIQUID INTERFACE | SYSTEMS | BASIS-SETS | COSMO-RS | WATER INTERFACE
Journal Article
Industrial & Engineering Chemistry Research, ISSN 0888-5885, 08/2016, Volume 55, Issue 34, pp. 9284 - 9294
The octanol–water partition coefficient (K OW) is a measure of the relative hydrophobicity and hydrophilicity of a chemical. Knowledge regarding how this value... 
DENSITY | REFINEMENT | ENGINEERING, CHEMICAL | ORGANIC-COMPOUNDS | DILUTION ACTIVITY-COEFFICIENTS | COSMO-RS | MODEL | IONIC LIQUIDS | CARBOXYLIC-ACIDS | PK(A) | LOGP
Journal Article
CHEMICAL SCIENCE, ISSN 2041-6520, 07/2019, Volume 10, Issue 25, pp. 6368 - 6381
We show here for the first time that strongly correlated linear relationships exist between equilibrium bond lengths of the sulfonamide group and aqueous pK(a)... 
PHYSICOCHEMICAL PROPERTIES | PKA VALUES | ANTIBIOTICS | MOLECULAR-STRUCTURE | GAS | ACID DISSOCIATION-CONSTANTS | COSMO-RS | MEDICINAL AGENTS | IDENTIFICATION | CHEMISTRY, MULTIDISCIPLINARY | LIPOPHILICITY
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 02/2015, Volume 17, Issue 5, pp. 3761 - 3767
Journal Article
International Journal of Pharmaceutics, ISSN 0378-5173, 07/2018, Volume 546, Issue 1-2, pp. 137 - 144
[Display omitted] Solubility parameters have been applied extensively in the chemical and pharmaceutical sciences. Particularly attractive is calculation of... 
Drugs | Solubility parameter | Inverse gas chromatography | Quantitative structure property relationship | In silico prediction | Conductor-like screening model | POLYMERS | QSPR | EXCIPIENTS | MODEL | INVERSE GAS-CHROMATOGRAPHY | PHARMACOLOGY & PHARMACY | MELT EXTRUSION | COSMO-RS | SELECTION | TOOL | Analysis | Chromatography | Methods
Journal Article