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Interatomic potentials and atomistic calculations of some metal hydride systems

✍ Scribed by S.J. Liu; S.Q. Shi; H. Huang; C.H. Woo

Book ID
117620214
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
207 KB
Volume
330-332
Category
Article
ISSN
0925-8388

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## Abstract MS‐__X__Ξ± calculations have been performed for the neutral species and the transition states for the positive and negative ions of the heavy metal atoms Mo, W, Re, Ir, Pt, and U and their diatomic hydrides and fluorides. Both nonspin‐polarized and spin‐polarized calculations were perfor