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Nuclear magnetic resonance chemical shifts from hybrid DFT QM/MM calculations

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Sebastiani,  Daniel
MPI for Polymer Research, Max Planck Society;

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Sebastiani, D., & Rothlisberger, U. (2004). Nuclear magnetic resonance chemical shifts from hybrid DFT QM/MM calculations. The Journal of Physical Chemistry B, 108(9), 2807-2815. doi:10.1021/jp0364304.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-5E40-3
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