High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions

by Spiekermann, Kevin, Pattanaik, Lagnajit, Green, William H
Published 2022

Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy

by Spiekermann, Kevin A., Pattanaik, Lagnajit, Green, William H.
Published 2022

Detailed Reaction Mechanism for 350-400 °C Pyrolysis of an Alkane, Aromatic, and Long-Chain Alkylaromatic Mixture

by Payne, A. Mark, Spiekermann, Kevin A., Green, William H.
Published 2022