Organic Peroxides in Aerosol: Key Reactive Intermediates for Multiphase Processes in the Atmosphere.
Sign Up to like & getrecommendations! Published in 2023 at "Chemical reviews"
DOI: 10.1021/acs.chemrev.2c00430
Abstract: Organic peroxides (POs) are organic molecules with one or more peroxide (-O-O-) functional groups. POs are commonly regarded as chemically labile termination products from gas-phase radical chemistry and therefore serve as temporary reservoirs for oxidative… read more here.
Keywords: organic peroxides; reactive intermediates; key reactive; multiphase processes ... See more keywords
AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00725
Abstract: We develop a framework for the design of optimized alchemical transformation pathways in free energy simulations using nonlinear mixing and a new functional form for so-called "softcore" potentials. We describe the implementation and testing of… read more here.
Keywords: energy; free energy; framework; transformation pathways ... See more keywords