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

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

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Item Type:
Journal Article
Journal or Publication Title:
Chemical Society Reviews
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/1600
Subjects:
ID Code:
75708
Deposited By:
Deposited On:
21 Oct 2015 04:58
Refereed?:
Yes
Published?:
Published
Last Modified:
16 Oct 2020 07:27