First-Principles Calculation of 17O and 25Mg NMR Shieldings in MgO at Finite Temperature: Rovibrational Effect in Solids-Reference-Cited by-同舟云学术

First-Principles Calculation of 17O and 25Mg NMR Shieldings in MgO at Finite Temperature: Rovibrational Effect in Solids

Author:

Rossano Stéphanie¹,Mauri Francesco²,Pickard Chris J.³,Farnan Ian⁴

Affiliation:

1. Laboratoire des Géomatériaux, Université de Marne la Vallée, CNRS FRE2455, 5 Bd Descartes, Champs/Marne, 77454 Noisy-Champs Cedex 2, France

2. Laboratoire de Minéralogie-Cristallographie, Université Pierre et Marie Curie, 4 place Jussieu, Case Postale 115, 75252 Paris Cedex 05, France

3. TCM Group, Cavendish Laboratory, Madingley Road, Cambridge CB3 0HE, United Kingdom

4. Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

Reference34 articles.

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