In silico environmental chemical science: properties and processes from statistical and computational modelling

Journal Article
Environmental Science: Processes & Impacts, vol. 19, iss. 3, pp. 188-202, 2017
Authors
Paul G. Tratnyek, Eric J. Bylaska, Eric J. Weber
Abstract

Theoretical and statistical approaches to calculation of properties that determine the environmental fate and effects of substances are summarized, with emphasis on their integration into “in silicoenvironmental chemical science”.

English