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

Marek FreindorfAlexis Antoinette Ann DelgadoElfi Kraka
Published in: J. Comput. Chem. (2022)
Keyphrases
  • quantum mechanics
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  • optimal solution
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  • theoretical framework