Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

by Gao, Connie W., Allen, Joshua W., Green, William H., West, Richard H.
Published 2022

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

by Gao, Connie W, Allen, Joshua W, Green, William H, West, Richard H
Published 2021

RPMDrate: Bimolecular chemical reaction rates from ring polymer molecular dynamics

by Suleimanov, Yu.V, Allen, Joshua W., Green, William H., Suleimanov, Yu. V.
Published 2014

Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH[subscript 4] → CH[subscript 3] + H[sub...

by Allen, Joshua W., Green, William H., Li, Yongle, Guo, Hua, Suleimanov, Yury V.
Published 2014