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"QM/MM calculations with DFT for taking into account protein effects on the ..."
Sebastian Sinnecker, Frank Neese (2006)
- Sebastian Sinnecker, Frank Neese

:
QM/MM calculations with DFT for taking into account protein effects on the EPR and optical spectra of metalloproteins. Plastocyanin as a case study. J. Comput. Chem. 27(12): 1463-1475 (2006)

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