Prediction of partition coefficients for complex environmental contaminants: Validation of COSMOtherm, ABSOLV, and SPARC

Experimental Determination of Polyparameter Linear Free Energy Relationship (pp-LFER) Substance Descriptors for Pesticides and Other Contaminants: New Measurements and Recommendations

(2013) Angelika Stenzel et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

QSPR prediction of physico-chemical properties for REACH

(2013) J.C. Dearden et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Partitioning of Organic Chemicals to Storage Lipids: Elucidating the Dependence on Fatty Acid Composition and Temperature

(2012) Anett Geisler et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Partitioning of Neutral Organic Compounds to Structural Proteins

(2012) Satoshi Endo et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Predicting Equilibrium Sorption of Neutral Organic Chemicals into Various Polymeric Sorbents with COSMO-RS

(2011) Kai-Uwe Goss   ANALYTICAL CHEMISTRY

Models for Liquid–Liquid Partition in the System Ethylene Glycol–Organic Solvent and Their Use for Estimating Descriptors for Organic Compounds

(2011) Thushara Karunasekara et al.   CHROMATOGRAPHIA

Capacities of Membrane Lipids to Accumulate Neutral Organic Chemicals

(2011) Satoshi Endo et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Measurements and predictions of hexadecane/air partition coefficients for 387 environmentally relevant compounds

(2011) Angelika Stenzel et al.   JOURNAL OF CHROMATOGRAPHY A

The COSMO and COSMO-RS solvation models

(2011) Andreas Klamt   Wiley Interdisciplinary Reviews-Computational Molecular Science

Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction

(2010) Alan R. Katritzky et al.   CHEMICAL REVIEWS

Assessment of PDMS-Water Partition Coefficients: Implications for Passive Environmental Sampling of Hydrophobic Organic Compounds

(2010) Erica L. DiFilippo et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Predicting Sorption of Pesticides and Other Multifunctional Organic Chemicals to Soil Organic Carbon

(2010) Guido Bronner et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures

(2010) Andreas Klamt et al.   Annual Review of Chemical and Biomolecular Engineering

Determination of solute descriptors by chromatographic methods

(2009) Colin F. Poole et al.   ANALYTICA CHIMICA ACTA

Air−Liquid Partition Coefficient for a Diverse Set of Organic Compounds: Henry’s Law Constant in Water and Hexadecane

(2008) Said H. Hilal et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Ambient Gas/Particle Partitioning. 2: The Influence of Particle Source and Temperature on Sorption to Dry Terrestrial Aerosols

(2008) Hans Peter H. Arp et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

NONADDITIVE EFFECTS IN THE PARTITIONING BEHAVIOR OF VARIOUS ALIPHATIC AND AROMATIC MOLECULES

(2008) Kai-Uwe Goss et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Separation characteristics of wall-coated open-tubular columns for gas chromatography

(2007) Colin F. Poole et al.   JOURNAL OF CHROMATOGRAPHY A