Articles with "ninpdn clusters" as a keyword



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A first-principles study of NinPdn (n = 1 − 5) clusters

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Published in 2017 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-017-3327-7

Abstract: A first-principle investigation of structures and properties of NinPdn (n=1-5) clusters is presented. For this study, the linear combination of Gaussian-type orbitals auxiliary density functional theory (LCGTO-ADFT) method has been employed. In order to determine… read more here.

Keywords: study ninpdn; ninpdn clusters; energy; principles study ... See more keywords