Density Functional Theory Studies of the Electronic Structure and Muon Hyperfine Interaction in [Au-25(SR)(18)](0) and [Au-25(SeR)(18)](0) Nanoclusters

Density Functional Theory Studies of the Electronic Structure and Muon Hyperfine Interaction in [Au-25(SR)(18)](0) and [Au-25(SeR)(18)](0) Nanoclusters

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Density functional theory computational investigation was performed to study the electronic structures, muon sites, and the associated hyperfine interactions in [Au-25(SR)(18)](0) and [Au-25(SeR)(18)](0) where R is phenylethane. The calculated electronic structures show inhomogeneous spin density di...

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Bibliographic Details
Main Authors: Ahmad, SN (Author), Ang, LS (Author), Baseri, DFH (Author), Rosli, NAM (Author), Sulaiman, S (Author), Watanabe, I (Author), Yahaya, NZ (Author), Zaharim, WN (Author)
Format: Article
Language:English
Published: 2020
Subjects:
BEHAVIOR
CLUSTERS
CRYSTAL-STRUCTURE
GOLD NANOCLUSTERS
LIQUIDS
MONOLAYERS
NANOPARTICLES
ORGANIC FREE-RADICALS
STABILITY
THIOLATE
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