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Keyword: DFT calculation
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2 records found.

manuscript_SI_MDR.pdf
Unraveling the Origin of Unusual Cs Atom Disorder in Cesium Octahedral Molybdenum Halide Cluster Compounds, Cs2[{Mo6Xi8}Xa6] (X = Cl and Br)
Article
Creator
Norio Saito ORCID ; Stéphane Cordier ; Takeo Ohsawa SAMURAI ORCID ; Noriko Saito SAMURAI ORCID ; Takahiro Takei ; Fabien Grasset ; Jeffrey Scott Cross ; Naoki Ohashi SAMURAI ORCID
Keyword
molybdenum halide, metal cluster, disordered structure, DFT calculation, luminescence
Date published
2025-02-03
Updated at
2025-04-02 15:09:44 +0900

d2nr03596k1.pdf
Single-molecule detection with enhanced Raman scattering of tungsten oxide nanostructure
Article
Creator
Yoshitaka Shingaya SAMURAI ORCID ; Hirokazu Takaki ; Nobuhiko Kobayashi ; Masakazu Aono SAMURAI ORCID ; Tomonobu Nakayama SAMURAI ORCID
Keyword
WOx nanorod, Raman enhancement, single-molecule detection, DFT calculation
Date published
2022-09-23
Updated at
2024-09-18 12:30:23 +0900

Keyword
  • DFT calculation (2)
  • Raman enhancement (1)
  • WOx nanorod (1)
  • disordered structure (1)
  • luminescence (1)
  • metal cluster (1)
  • molybdenum halide (1)
  • single-molecule detection (1)
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