AMADAR: a python-based package for large scale prediction of Diels-Alder transition state geometries and IRC path analysis

Bienfait Kabuyaya Isamura, Kevin A. Lobb. AMADAR: a python-based package for large scale prediction of Diels-Alder transition state geometries and IRC path analysis. J. Cheminformatics, 14(1):39, 2022. [doi]

Abstract

Abstract is missing.