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Equation of state of CaMnO3: a combined experimental and computational study

✍ Scribed by Wojciech Paszkowicz, Scott M. Woodley, Paweł Piszora…

Book ID
120782699
Publisher
Springer
Year
2013
Tongue
English
Weight
668 KB
Volume
112
Category
Article
ISSN
1432-0630

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✍ Christel Gervais; Mickaël Profeta; Vincent Lafond; Christian Bonhomme; Thierry A 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 823 KB

## Abstract ^1^H, ^13^C, ^17^O and ^31^P NMR parameters, including chemical shift tensors and quadrupolar parameters for ^17^O, were calculated for phenylphosphonic acid, C~6~H~5~PO(OH)~2~, under periodic boundary conditions. The results are in very good agreement with experimental data and permit