A Data Resource for Prediction of Gas-Phase Thermodynamic Properties of Small Molecules

The thermodynamic properties of a substance are key to predicting its behavior in physical and chemical systems. Specifically, the enthalpy of formation and entropy of a substance can be used to predict whether reactions involving that substance will proceed spontaneously under conditions of constan...

Full description

Bibliographic Details
Main Authors: Bains, William, Petkowski, Janusz Jurand, Zhan, Zhuchang, Seager, Sara
Other Authors: Massachusetts Institute of Technology. Department of Earth, Atmospheric, and Planetary Sciences
Format: Article
Published: MDPI AG 2022
Online Access:https://hdl.handle.net/1721.1/141364.2