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Structure and thermodynamic studies of the LaMgNi4 compound and its hydrides by density functional theory

โœ Scribed by Cheng, L.F.; Zou, J.X.; Zeng, X.Q.; Ding, W.J.


Book ID
120066513
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
904 KB
Volume
38
Category
Article
ISSN
0966-9795

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## Abstract The thermodynamic properties of 76 polychlorinated dihydrophezines (PCDPs) in the gaseous state at 298.15โ€‰K and 101.325โ€‰kPa, have been calculated using the density functional theory (the BHANDHLYP/6โ€31G\*) with Gaussian 03 program. Based on these data, the isodesmic reactions were desig