First-principles calculation of NMR parameters using the gauge including projector augmented wave method: a chemist's point of view
Chem Rev
.
2012 Nov 14;112(11):5733-79.
doi: 10.1021/cr300108a.
Epub 2012 Nov 1.
Authors
Christian Bonhomme
1
,
Christel Gervais
,
Florence Babonneau
,
Cristina Coelho
,
Frédérique Pourpoint
,
Thierry Azaïs
,
Sharon E Ashbrook
,
John M Griffin
,
Jonathan R Yates
,
Francesco Mauri
,
Chris J Pickard
Affiliation
1
Laboratoire de Chimie de la Matière Condensée de Paris, Université Pierre et Marie Curie, CNRS UMR, Collège de France, France.
[email protected]
PMID:
23113537
DOI:
10.1021/cr300108a
No abstract available