"pyMCD: Python package for searching transition states via the ..."

Kyunghoon Lee, Jun Hyeong Kim, Woo Youn Kim (2023)

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DOI: 10.1016/J.CPC.2023.108831

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type: Journal Article

metadata version: 2023-10-22

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Kyunghoon Lee, Jun Hyeong Kim, Woo Youn Kim:
pyMCD: Python package for searching transition states via the multicoordinate driven method. Comput. Phys. Commun. 291: 108831 (2023)

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