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Fragment-based (13)C 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, 14 September 2015, Vol.143(10), pp.102809 [Periódico revisado por pares]

MEDLINE/PubMed (U.S. National Library of Medicine)

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Fragment-based 13 C 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, 14 September 2015, Vol.143(10) [Periódico revisado por pares]

© 2015 AIP Publishing LLC (AIP)

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

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

Journal of Chemical Physics, 14 September 2015, Vol.143(10) [Periódico revisado por pares]

SciTech Connect (U.S. Dept. of Energy - Office of Scientific and Technical Information)

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