Bonhomme, Christian and Gervais, Christel and Babonneau, Florence and Coelho, Cristina and Pourpoint, Frederique and Azais, Thierry and Ashbrook, Sharon E. and Griffin, John M. and Yates, Jonathan R. and Mauri, Francesco and Pickard, Chris J. (2012) First-principles calculation of NMR parameters using the gauge including projector augmented wave method:a chemist's point of view. Chemical Society Reviews, 112 (11). pp. 5733-5779. ISSN 0306-0012
Full text not available from this repository.
Official URL: https://doi.org/10.1021/cr300108a
Item Type:
Journal Article
Journal or Publication Title:
Chemical Society Reviews
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/1600
Subjects:
?? SOLID-STATE-NMRNUCLEAR-MAGNETIC-RESONANCEDENSITY-FUNCTIONAL THEORYWALLED CARBON NANOTUBESCHEMICAL-SHIFT TENSORS1ST PRINCIPLES CALCULATIONSSPIN COUPLING-CONSTANTSAB-INITIO CALCULATIONSMOLECULAR-DYNAMICS SIMULATIONSCRYSTAL-STRUCTURE PREDICTIONCHEMISTRY(ALL) ??
ID Code:
75708
Deposited By:
Deposited On:
21 Oct 2015 04:58
Refereed?:
Yes
Published?:
Published
Last Modified:
19 Sep 2023 01:26