"Assessing the validity of DLPNO-CCSD(T) in the calculation of activation ..."

Pedro Paiva, Maria João Ramos, Pedro Alexandrino Fernandes (2020)

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DOI: 10.1002/JCC.26401

access: closed

type: Journal Article

metadata version: 2021-03-23

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Pedro Paiva, Maria João Ramos, Pedro Alexandrino Fernandes:
Assessing the validity of DLPNO-CCSD(T) in the calculation of activation and reaction energies of ubiquitous enzymatic reactions. J. Comput. Chem. 41(29): 2459-2468 (2020)

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