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Density-Functional Tight-Binding Parameters for Bulk Zirconium: A Case Study for Repulsive Potentials.
Hutama, Aulia Sukma; Chou, Chien-Pin; Nishimura, Yoshifumi; Witek, Henryk A; Irle, Stephan.
Afiliação
  • Hutama AS; Department of Chemistry, Nagoya University, Nagoya 464-8601, Japan.
  • Chou CP; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Yogyakarta 55281, Indonesia.
  • Nishimura Y; Department of Applied Chemistry, National Chiao Tung University, Hsinchu 30010, Taiwan.
  • Witek HA; Waseda Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555, Japan.
  • Irle S; Department of Applied Chemistry, National Chiao Tung University, Hsinchu 30010, Taiwan.
J Phys Chem A ; 125(10): 2184-2196, 2021 Mar 18.
Article em En | MEDLINE | ID: mdl-33645988
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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Qualitative_research Idioma: En Ano de publicação: 2021 Tipo de documento: Article
Texto completo
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PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Qualitative_research Idioma: En Ano de publicação: 2021 Tipo de documento: Article