Found 5 datasets matching filters.
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This dataset consists of rate constants, half-lives and activation energy values for hydrolysis of organic chemicals compiled from journal publications and regulatory reports. The dataset was...
Search relevance: 1.00 | Views last month: 14 | Published on: 2025-08-02 -
The dataset contains identifying information (name, SMILES string), measured hydrolysis rate constants, and calculated molecular descriptors for 223 carboxylic acid esters and 108 lactones. The...
Search relevance: 1.00 | Views last month: 9 | Published on: 2025-08-02 -
Limited data is available for physicochemical properties and environmental fate parameters of PFAS chemicals, which are widely distributed in the environment and highly persistent. This work...
Search relevance: 1.00 | Views last month: 2 | Published on: 2025-08-09 -
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...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
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 used to predict...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02
