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Cover Feature: Isoprene Reactivity on Water Surfaces from ab initio QM/MM Molecular Dynamics Simulations (ChemPhysChem 20/2020)
Author(s) -
MartinsCosta Marilia T. C.,
RuizLópez Manuel F.
Publication year - 2020
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.202000813
Subject(s) - isoprene , reactivity (psychology) , adsorption , molecular dynamics , chemistry , cover (algebra) , ab initio , qm/mm , chemical physics , computational chemistry , organic chemistry , medicine , mechanical engineering , alternative medicine , pathology , engineering , copolymer , polymer
The Cover Feature illustrates the adsorption of isoprene, a common volatile organic compound produced by many plants, on the surface of a cloud water droplet. Reactivity on water is shown to be different from reactivity in the gas phase thanks to combined quantum/classical molecular dynamics simulations. More information can be found in the Article by Marilia T. C. Martins‐Costa and Manuel F. Ruiz‐López.