Fragment-based 13C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods

Hartman, Joshua D. ; Monaco, Stephen ; Schatschneider, Bohdan ; Beran, Gregory J. O.

The Journal of chemical physics, 2015-09, Vol.143 (10) [Periódico revisado por pares]

Melville: American Institute of Physics

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