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First-principles calculation of NMR parameters using the gauge including projector augmented wave method: a chemist's point of view

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Description scientific article published on 01 November 2012
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author: Francesco Mauri  Thierry Azaïs  Christian Bonhomme  Florence Babonneau  Christel Gervais  Cristina Coelho  Frédérique Pourpoint 

Publication date November 1, 2012
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