Jacob R. Gissinger Benjamin D. Jensen Kristopher E. Wise Molecular modeling of reactive systems with REACTER. 109287 2024 304 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2024.109287 db/journals/cphysics/cphysics304.html#GissingerJW24 streams/journals/cphysics