DFT calculations of quadrupolar solid-state NMR properties: Some examples in solid-state inorganic chemistry-Reference-Cited by-同舟云学术

DFT calculations of quadrupolar solid-state NMR properties: Some examples in solid-state inorganic chemistry

Published:2008-10 Issue:13 Volume:29 Page:2279-2287
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Cuny Jerome,Messaoudi Sabri,Alonzo Veronique,Furet Eric,Halet Jean-François,Le Fur Eric,Ashbrook Sharon E.,Pickard Chris J.,Gautier Regis,Le Polles Laurent

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference86 articles.

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2. First-Principles Calculation of the Electric Field Gradient ofLi3N

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4. First-principles simulation: ideas, illustrations and the CASTEP code

5. 95Mo Magic Angle Spinning NMR at High Field: Improved Measurements and Structural Analysis of the Quadrupole Interaction in Monomolybdates and Isopolymolybdates

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