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モデルコアポテンシヤル法を用いた分子軌道計算の汎用プログラムの開発

モデルコアポテンシヤル法を用いた分子軌道計算の汎用プログラムの開発
Paper図書
酒井, 嘉子, 九州大学2000-2001<Y151-H12640499>
National Diet Library
  • Subject Headingモデルコアポテンシヤル MCP法 遷移金属 ランタノイド、アクチノイド GAMESS GAUSSIAN ZrCl TiCl

XAFS spectrum of Zirconium chloride Anhydrous

XAFS spectrum of Zirconium chloride Anhydrous
Digital文書・図像類
Industrial Application and Partnership DivisionIndustrial Application and Partnership Division, SPring-82021-07-24
Available onlineOther Libraries in Japan
  • Subject Heading...BL14B2 Si(311) ZrCl4 Zr K-edge Chloride Zirconium...

Ab-initio phonon calculation for ZrCl2 / R3m (160) / materials id 23162

Ab-initio phonon calculation for ZrCl2 / R3m (160) / materials id 23162
Digital文書・図像類
Atsushi TogoNIMS
Available onlineOther Libraries in Japan
  • Summary, etc....alculation for ZrCl2 / R3m (160) Phonon band stru...
  • Subject HeadingPhonon ZrCl2 R3m (160)

Ab-initio phonon calculation for Cs2ZrCl6 / Fm-3m (225) / materials id 638729

Ab-initio phonon calculation for Cs2ZrCl6 / Fm-3m (225) / materials id 638729
Digital文書・図像類
Atsushi TogoNIMS
Available onlineOther Libraries in Japan
  • Summary, etc....ulation for Cs2ZrCl6 / Fm-3m (225) Phonon band st...
  • Subject HeadingPhonon Cs2ZrCl6 Fm-3m (225)

Ab-initio phonon calculation for ZrCl4 / P2/c (13) / materials id 569175

Ab-initio phonon calculation for ZrCl4 / P2/c (13) / materials id 569175
Digital文書・図像類
Atsushi TogoNIMS
Available onlineOther Libraries in Japan
  • Summary, etc....alculation for ZrCl4 / P2/c (13) Phonon band stru...
  • Subject HeadingPhonon ZrCl4 P2/c (13)

Ab-initio phonon calculation for Rb2ZrCl6 / Fm-3m (225) / materials id 27831

Ab-initio phonon calculation for Rb2ZrCl6 / Fm-3m (225) / materials id 27831
Digital文書・図像類
Atsushi TogoNIMS
Available onlineOther Libraries in Japan
  • Summary, etc....ulation for Rb2ZrCl6 / Fm-3m (225) Phonon band st...
  • Subject HeadingPhonon Rb2ZrCl6 Fm-3m (225)

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