Publications by authors named "Mickael Profeta"

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Combined first-principles computational and experimental multinuclear solid-state NMR investigation of amino acids.
Christel Gervais, Ray Dupree, Kevin J Pike, Christian Bonhomme, Mickaël Profeta

J Phys Chem A· August 2005

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First-principles calculation of the 17O NMR parameters of a calcium aluminosilicate glass.
Magali Benoit, Mickaël Profeta, Francesco Mauri, Chris J Pickard, Mark E Tuckerman

J Phys Chem B· April 2005

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First-principles calculation of the 17O NMR parameters in Ca oxide and Ca aluminosilicates: the partially covalent nature of the Ca-O bond, a challenge for density functional theory.
Mickaël Profeta, Magali Benoit, Francesco Mauri, Chris J Pickard

J Am Chem Soc· October 2004

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Combined ab initio computational and experimental multinuclear solid-state magnetic resonance study of phenylphosphonic acid.
Christel Gervais, Mickaël Profeta, Vincent Lafond, Christian Bonhomme, Thierry Azaïs

Magn Reson Chem· May 2004

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Accurate first principles prediction of 17O NMR parameters in SiO2: assignment of the zeolite ferrierite spectrum.
Mickael Profeta, Francesco Mauri, Chris J Pickard

J Am Chem Soc· January 2003

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