Density Functional Theory Studies of the Electronic Structure and Muon Hyperfine Interaction in [Au25(SR)18]0and [Au25(SeR)18]0Nanoclusters

Density Functional Theory Studies of the Electronic Structure and Muon Hyperfine Interaction in [Au25(SR)18]0and [Au25(SeR)18]0Nanoclusters

Density functional theory computational investigation was performed to study the electronic structures, muon sites, and the associated hyperfine interactions in [Au25(SR)18]0 and [Au25(SeR)18]0 where R is phenylethane. The calculated electronic structures show inhomogeneous spin density distribution...

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Bibliographic Details
Published in:ACS Omega
Main Author: Ahmad S.N.; Zaharim W.N.; Sulaiman S.; Hasan Baseri D.F.; Mohd Rosli N.A.; Ang L.S.; Yahaya N.Z.; Watanabe I.
Format: Article
Language:English
Published: American Chemical Society 2020
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85098974428&doi=10.1021%2facsomega.0c04937&partnerID=40&md5=74058c4088e59e9ba00db6d3b63cac3c

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https://www.scopus.com/inward/record.uri?eid=2-s2.0-85098974428&doi=10.1021%2facsomega.0c04937&partnerID=40&md5=74058c4088e59e9ba00db6d3b63cac3c

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