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

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  • Christian Bonhomme
  • Christel Gervais
  • Florence Babonneau
  • Cristina Coelho
  • Frederique Pourpoint
  • Thierry Azais
  • Sharon E. Ashbrook
  • John M. Griffin
  • Jonathan R. Yates
  • Francesco Mauri
  • Chris J. Pickard
<mark>Journal publication date</mark>11/2012
<mark>Journal</mark>Chemical Society Reviews
Issue number11
Number of pages47
Pages (from-to)5733-5779
Publication StatusPublished
Early online date1/11/12
<mark>Original language</mark>English