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 - researchr publication

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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. Journal of Computational Chemistry, 27(7):825-836, 2006. [doi]

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