collaborators

1 paper

physics.chem-ph2021

AutoMeKin2021: An open-source program for automated reaction discovery

Emilio Martínez-Núñez, George L. Barnes, David R. Glowacki +8

AutoMeKin2021 is an updated version of tsscds2018, a program for the automated discovery of reaction mechanisms (J. Comput. Chem. 2018, 39, 1922-1930). This release features a numb…