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Barrierless Reactions with Loose Transition States Govern the Yields and Life...
The attached extensive computational chemistry dataset was succinctly presented by Piletic et al. (Journal of Physical Chemistry A, 2017, DOI: 10.1021/acs.jpca.7b08229) and... -
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...