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CO bonding in hexa- and pentacoordinate carboxy-neuroglobin: A quantum mechanics/molecular mechanics and local vibrational mode study

Marek Freindorf, Alexis Antoinette Ann Delgado, Elfi Kraka. CO bonding in hexa- and pentacoordinate carboxy-neuroglobin: A quantum mechanics/molecular mechanics and local vibrational mode study. Journal of Computational Chemistry, 43(25):1725-1746, 2022. [doi]

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