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Phase stability and electronic structures of stoichiometric tantalum mononitrides

โœ Scribed by Tae-Eun Kim; Seungwu Han; Won-joon Son; Eunae Cho; Hyo-Shin Ahn; Seokmin Shin

Book ID
116375141
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
737 KB
Volume
44
Category
Article
ISSN
0927-0256

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๐Ÿ“œ SIMILAR VOLUMES

Electronic structures of 3d-metal mononi
Electronic structures of 3d-metal mononitrides
โœ Zhijian Wu ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 109 KB

## Abstract Bond distances, vibrational frequencies, electron affinities, ionization potentials, and dissociation energies of the title molecules in neutral, positively, and negatively charged ions were studied by use of density functional methods B3LYP, BLYP, BHLYP, BPW91, and B3PW91. The calculat