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]
@article{IsamuraL22,
title = {AMADAR: a python-based package for large scale prediction of Diels-Alder transition state geometries and IRC path analysis},
author = {Bienfait Kabuyaya Isamura and Kevin A. Lobb},
year = {2022},
doi = {10.1186/s13321-022-00618-3},
url = {https://doi.org/10.1186/s13321-022-00618-3},
researchr = {https://researchr.org/publication/IsamuraL22},
cites = {0},
citedby = {0},
journal = {J. Cheminformatics},
volume = {14},
number = {1},
pages = {39},
}