4 件のレコードが見つかりました。
Numerical atomic basis orbitals from H to Kr
- ジャーナル論文
- 著者
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;T. Ozaki (author) (この著者で検索)H. Kino (author) (この著者で検索)National Institute for Materials Science
- キーワード
- OpenMX, first-principles calculation, DFT, LCAO, numerical atomic basis, benchmark, molecules, bulks
- 刊行年月日
- 2004-05-28
- 更新時刻
- 2024-01-05 22:11:39 +0900
Theoretically designed M@diaza[2.2.2]cryptand complexes: the role of non-covalent interactions in promoting NLO properties of organic electrides
- ジャーナル論文
- 著者
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;Atazaz Ahsin (author) (この著者で検索)Toyota Central R&D Labs. Inc;Aamna Qamar (author) (この著者で検索);Qing Lu (author) (この著者で検索)Chinese Academy of Sciences Beijing National Laboratory for Molecular SciencesWensheng Bian (author) (この著者で検索)Chinese Academy of Sciences Beijing National Laboratory for Molecular Sciences
- キーワード
- Electrides, Excess electrons, Optoelectronic, Molecular dynamics, DFT
- 刊行年月日
- 2024-12-31
- 更新時刻
- 2024-06-03 16:30:17 +0900
Quasi-One-Dimensional Spin Dynamics in a Molecular Spin Liquid System
- ジャーナル論文
- 著者
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Yugo Oshima (author) (この著者で検索)
https://orcid.org/0000-0001-9822-8262
(unauthenticated)
;
Yasuyuki Ishii (author) (この著者で検索)
https://orcid.org/0000-0001-6520-3894
(unauthenticated)
;
Francis L. Pratt (author) (この著者で検索)
https://orcid.org/0000-0002-5919-3885
(unauthenticated)
;
Isao Watanabe (author) (この著者で検索)
https://orcid.org/0000-0003-4722-8654
(unauthenticated)
;
Hitoshi Seo (author) (この著者で検索)
https://orcid.org/0000-0003-4907-7255
(unauthenticated)
;
Takao Tsumuraya (author) (この著者で検索)
https://orcid.org/0000-0001-9063-9278
(unauthenticated)
;
Tsuyoshi Miyazaki (author) (この著者で検索)
;
Reizo Kato (author) (この著者で検索)
https://orcid.org/0000-0002-2606-4657
(unauthenticated)
- キーワード
- Molecular Triangular Lattice System, 1D spin liquid, electron spin resonance, muon-spin relaxation measurements, DFT, extended Hubbard model
- 刊行年月日
- 2024-12-03
- 更新時刻
- 2024-12-06 17:17:56 +0900