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Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins : 2. Level of Theory, Basis Set, and Solvents Model Dependence

Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins : 2. Level of Theory, Basis Set, and Solvents Model Dependence

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FRANK, Andrea, Heiko M. MÖLLER, Thomas E. EXNER, 2012. Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins : 2. Level of Theory, Basis Set, and Solvents Model Dependence. In: Journal of Chemical Theory and Computation. 8(4), pp. 1480-1492. ISSN 1549-9618. eISSN 1549-9626. Available under: doi: 10.1021/ct200913r

@article{Frank2012Towar-21277, title={Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins : 2. Level of Theory, Basis Set, and Solvents Model Dependence}, year={2012}, doi={10.1021/ct200913r}, number={4}, volume={8}, issn={1549-9618}, journal={Journal of Chemical Theory and Computation}, pages={1480--1492}, author={Frank, Andrea and Möller, Heiko M. and Exner, Thomas E.} }

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