Calculation of diffusion coefficients of pesticides by employing molecular dynamics simulations
Joana R.C. Santos, Paulo E. Abreu, J. M. C. Marques
Topics & Concepts
DiffusionMolecular dynamicsIonChemistryBiological systemStatistical physicsChemical physicsMaterials scienceThermodynamicsComputational chemistryPhysicsOrganic chemistryBiologyAnalytical Chemistry and ChromatographyRadioactive element chemistry and processingChemical and Physical Properties in Aqueous Solutions