The structure of fluoride-containing bioactive glasses: new insights from first-principles calculations and solid state NMR spectroscopy

2012 ◽  
Vol 22 (25) ◽  
pp. 12599 ◽  
Author(s):  
Alfonso Pedone ◽  
Thibault Charpentier ◽  
Maria Cristina Menziani
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
First Principles ◽  
Solid State Nmr ◽  
First Principles Calculations ◽  
Bioactive Glasses ◽  
Solid State Nmr Spectroscopy

scholarly journals Revealing Local Dynamics of the Protonic Conductor CsH(PO3H) by Solid-State NMR Spectroscopy and First-Principles Calculations

2017 ◽  
Vol 121 (50) ◽  
pp. 27830-27838 ◽  
Author(s):  
Gunwoo Kim ◽  
John M. Griffin ◽  
Frédéric Blanc ◽  
David M. Halat ◽  
Sossina M. Haile ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
First Principles ◽  
Solid State Nmr ◽  
First Principles Calculations ◽  
Local Dynamics ◽  
Solid State Nmr Spectroscopy ◽  
Protonic Conductor

Exploring the Molecular Structure of Imidazolium-Silica-Based Nanoparticle Networks by Combining Solid-State NMR Spectroscopy and First-Principles Calculations

2014 ◽  
Vol 20 (46) ◽  
pp. 15188-15196 ◽  
Author(s):  
Marie-Alexandra Neouze ◽  
Martin Kronstein ◽  
Marco Litschauer ◽  
Michael Puchberger ◽  
Cristina Coelho ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
First Principles ◽  
Solid State Nmr ◽  
First Principles Calculations ◽  
Solid State Nmr Spectroscopy

17O and29Si NMR Parameters of MgSiO3Phases from High-Resolution Solid-State NMR Spectroscopy and First-Principles Calculations

2007 ◽  
Vol 129 (43) ◽  
pp. 13213-13224 ◽  
Author(s):  
Sharon E. Ashbrook ◽  
Andrew J. Berry ◽  
Daniel J. Frost ◽  
Alan Gregorovic ◽  
Chris J. Pickard ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
High Resolution ◽  
First Principles ◽  
Solid State Nmr ◽  
First Principles Calculations ◽  
Solid State Nmr Spectroscopy ◽  
Nmr Parameters
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