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pKa Data-driven Insights to Multiple Linear Regression Hydrolysis QSARs: Appl...
Limited data is available for physicochemical properties and environmental fate parameters of PFAS chemicals, which are widely distributed in the environment and highly... -
Vapor-pressure pathways initiate but hydrolysis products dominate the aerosol...
The data includes (1) one zip file of CMAQ code used for simulations in the manuscript and (2) a link to field data (total alkyl nitrates) used for evaluation. See... -
Computational Chemistry Data for "Synthesis and Hydrolysis of Atmospherically...
The data describe density functional theory (DFT) calculations of the pH dependent reaction barriers for the hydrolysis of four different monoterpene nitrates. These data are...