ファイル種別: application/pdf キーワード: DFT

3 件のレコードが見つかりました。

Theoretically designed M diaza 2.2.2 cryptand complexes the role of non-covalent interactions in promoting NLO properties of organic electrides.pdf
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
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 Sciences
;
Wensheng 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

Engineering the electronic properties of MoTe2 via defect control.pdf
Engineering the electronic properties of MoTe2 via defect control
ジャーナル論文
著者
Celal Yelgel (author) (この著者で検索)
;
Övgü C. Yelgel (author) (この著者で検索)
The Computational Modelling Laboratory, Recep Tayyip Erdogan University,
キーワード
Transition metal dichalcogenides, DFT, MoTe2, defect control, electronic properties
刊行年月日
2024-12-31
更新時刻
2025-07-16 16:14:08 +0900

3uHsAE-2410.20076v1.pdf
Quasi-One-Dimensional Spin Dynamics in a Molecular Spin Liquid System
ジャーナル論文
著者
Yugo Oshima (author) (この著者で検索)
ORCID ;
Yasuyuki Ishii (author) (この著者で検索)
ORCID ;
Francis L. Pratt (author) (この著者で検索)
ORCID ;
Isao Watanabe (author) (この著者で検索)
ORCID ;
Hitoshi Seo (author) (この著者で検索)
ORCID ;
Takao Tsumuraya (author) (この著者で検索)
ORCID ; ORCID SAMURAI ;
Reizo Kato (author) (この著者で検索)
ORCID
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