Thermodynamic Descriptors Derived from Density Functional Theory Calculations in Prediction of Aquatic Toxicity

Martin Smiesko, Emilio Benfenati. Thermodynamic Descriptors Derived from Density Functional Theory Calculations in Prediction of Aquatic Toxicity. Journal of Chemical Information and Computer Sciences, 45(2):379-385, 2005. [doi]

Abstract

Abstract is missing.