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"A comparison of quantum chemical models for calculating NMR shielding ..."

Seongho Moon, David A. Case (2006)

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DOI: 10.1002/JCC.20388

access: closed

type: Journal Article

metadata version: 2020-04-01

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Seongho Moon, David A. Case:
A comparison of quantum chemical models for calculating NMR shielding parameters in peptides: Mixed basis set and ONIOM methods combined with a complete basis set extrapolation. J. Comput. Chem. 27(7): 825-836 (2006)

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