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1437 件のレコードが見つかりました。
Postsynthetic Defect Formation in Three-Dimensional Hofmann-Type Coordination Polymers and Its Impact on Catalytic Activity
- ジャーナル論文
- 著者
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Daiki Umeyama (author) (この著者で検索)National Institute for Materials Science
;
Atsuro Takai (author) (この著者で検索)National Institute for Materials Science
;
Kazutaka Sonobe (author) (この著者で検索) - キーワード
- Ligand exchange, Defects, Catalysis, Hofmann-Type Coordination Polymers
- 刊行年月日
- 2022-01-24
- 更新時刻
- 2026-01-19 17:07:23 +0900
Intramolecular Versus Intermolecular Bonding in Drug Gemcitabine and Nucleobases: A Computational Study
- ジャーナル論文
- 著者
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;Natarajan Sathiyamoorthy Venkataramanan (author) (この著者で検索);Ambigapathy Suvitha (author) (この著者で検索)Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science
- キーワード
- drug, nucleobases, non-covalent interactions, DFT calculations, energy decomposition analysis
- 刊行年月日
- 2025-06-25
- 更新時刻
- 2025-11-27 08:30:18 +0900
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
- ジャーナル論文
- 著者
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;Masato Ohnishi (author) (この著者で検索);Tianqi Deng (author) (この著者で検索);Pol Torres (author) (この著者で検索);Zhihao Xu (author) (この著者で検索)Terumasa Tadano (author) (この著者で検索)
;
;Haoming Zhang (author) (この著者で検索);Wei Nong (author) (この著者で検索);Masatoshi Hanai (author) (この著者で検索);Zeyu Wang (author) (この著者で検索);Michimasa Morita (author) (この著者で検索);Zhiting Tian (author) (この著者で検索);Ming Hu (author) (この著者で検索);Xiulin Ruan (author) (この著者で検索);Ryo Yoshida (author) (この著者で検索);Toyotaro Suzumura (author) (この著者で検索);Lucas Lindsay (author) (この著者で検索);Alan J. H. McGaughey (author) (この著者で検索);Tengfei Luo (author) (この著者で検索);Kedar Hippalgaonkar (author) (この著者で検索)Junichiro Shiomi (author) (この著者で検索)
- キーワード
- Thermal conductivity, Phonon, First-principles calculation
- 刊行年月日
- 2026-04-13
- 更新時刻
- 2026-05-12 08:46:56 +0900
Spglib: a software library for crystal symmetry search
- ジャーナル論文
- 著者
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Atsushi Togo (author) (この著者で検索)
;
;Kohei Shinohara (author) (この著者で検索)Isao Tanaka (author) (この著者で検索)
- キーワード
- Space group
- 刊行年月日
- 2024-12-31
- 更新時刻
- 2024-11-12 16:30:24 +0900
Experimental Elucidation of a Cubane Water Cluster in the Hydrophobic Cavity of UiO‐66
- ジャーナル論文
- 著者
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;Kazutaka Sonobe (author) (この著者で検索)Satoshi Tominaka (author) (この著者で検索)
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Akihiko Machida (author) (この著者で検索)
- キーワード
- cubane water cluster, nanoscale water, nanotechnology, hydrogen bond, hydrophobicity and hydrophilicity, metal organic framework, zero-dimensional nanospace,, hydrophobic nanocage
- 刊行年月日
- 2024-12-02
- 更新時刻
- 2024-10-29 16:30:40 +0900
Phonon Anomaly and Local Distortion in Iron-Manganese-Based Elinvar Alloys
- ジャーナル論文
- 著者
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;Yoshihiko Umemoto (author) (この著者で検索)Tohoku University Institute for Materials Research;Yoichi Ikeda (author) (この著者で検索);Takashi Honda (author) (この著者で検索);Daisuke Ishikawa (author) (この著者で検索);John A. Schneeloch (author) (この著者で検索);Jörg C. Neuefeind (author) (この著者で検索);Shinichiro Tozawa (author) (この著者で検索);Rie Umetsu (author) (この著者で検索);Despina Louca (author) (この著者で検索);Alfred Q.R. Baron (author) (この著者で検索)Masaki Fujita (author) (この著者で検索)
- キーワード
- Iron-manganese based alloy, Elinvar, martensitic transformation, phonon softening, local distortion
- 刊行年月日
- 2025-12-31
- 更新時刻
- 2025-08-06 08:30:28 +0900
Regulation of Te oxide layer on a CdZnTe film for adjusting surface contact of a CdZnTe-based device
- ジャーナル論文
- 著者
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;Zilong Zhang (author) (この著者で検索)National Institute for Materials Science (NIMS) Research Center for Electronic and Optical Materials;Keyun Gu (author) (この著者で検索);Tianyu Zou (author) (この著者で検索);Jian Huang (author) (この著者で検索);Ke Tang (author) (この著者で検索);Yue Shen (author) (この著者で検索);Haitao Ye (author) (この著者で検索)Meiyong Liao (author) (この著者で検索)National Institute for Materials Science (NIMS) Research Center for Electronic and Optical Materials
;
Linjun Wang (author) (この著者で検索)
- キーワード
- CdZnTe, contact, surface
- 刊行年月日
- 2023-09-13
- 更新時刻
- 2024-01-05 22:12:52 +0900
Regulation of Te oxide layer on a CdZnTe film for adjusting surface contact of a CdZnTe-based device
- ジャーナル論文
- 著者
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;Zilong Zhang (author) (この著者で検索);Keyun Gu (author) (この著者で検索);Tianyu Zou (author) (この著者で検索);Jian Huang (author) (この著者で検索);Ke Tang (author) (この著者で検索);Yue Shen (author) (この著者で検索);Haitao Ye (author) (この著者で検索)Meiyong Liao (author) (この著者で検索)National Institute for Materials Science
;
Linjun Wang (author) (この著者で検索)
- キーワード
- CdZnTe film, surface, contacts
- 刊行年月日
- 2023-09-14
- 更新時刻
- 2024-01-05 22:12:48 +0900
Berry curvature signatures in chiroptical excitonic transitions
- ジャーナル論文
- 著者
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;Samuel Beaulieu (author) (この著者で検索);Shuo Dong (author) (この著者で検索);Viktor Christiansson (author) (この著者で検索);Philipp Werner (author) (この著者で検索);Tommaso Pincelli (author) (この著者で検索);Jonas D. Ziegler (author) (この著者で検索)Takashi Taniguchi (author) (この著者で検索)National Institute for Materials Science
;
Kenji Watanabe (author) (この著者で検索)National Institute for Materials Science
;
;Alexey Chernikov (author) (この著者で検索);Martin Wolf (author) (この著者で検索);Laurenz Rettig (author) (この著者で検索);Ralph Ernstorfer (author) (この著者で検索)Michael Schüler (author) (この著者で検索)
- キーワード
- WSe2, Berry curvature, optical transition rates
- 刊行年月日
- 2024-06-28
- 更新時刻
- 2025-02-23 22:46:18 +0900
Reducing critical current for spin-transfer-torque magnetization reversal in current-perpendicular-to-plane giant magnetoresistance devices using low damping and spin scattering asymmetry in Co2FeGa0.5Ge0.5 Heusler alloy
- ジャーナル論文
- 著者
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;Vineet Barwal (author) (この著者で検索)Hirofumi Suto (author) (この著者で検索)
;
Yuya Sakuraba (author) (この著者で検索)
- キーワード
- Heusler alloys, Giant magnetoresistance, Spin-transfer-torque, Ferromagnetic resonance, Gilbert damping
- 刊行年月日
- 2025-12-18
- 更新時刻
- 2026-02-11 12:30:10 +0900