"First-principles and molecular-dynamics study of structure and bonding in ..."

Holger Wolff, Richard Dronskowski (2008)

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DOI: 10.1002/JCC.20895

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type: Journal Article

metadata version: 2022-01-03

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Holger Wolff, Richard Dronskowski:
First-principles and molecular-dynamics study of structure and bonding in perovskite-type oxynitrides ABO₂N (A = Ca, Sr, Ba; B = Ta, Nb). J. Comput. Chem. 29(13): 2260-2267 (2008)

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