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乙酰丙酮铱 Ir(acac)<sub>3</sub> 电子结构及光学性质研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 011001-1, doi. 10.19855/j.1000-0364.2025.011001
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- Article
HTPB 对 PYX 耐热炸药性能微观影响的分子动力学模拟.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 011002-1, doi. 10.19855/j.1000-0364.2025.011002
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- Article
Fe、Ir掺杂MoS<sub>2</sub> 表面对N<sub>2</sub> 气敏吸附与解离反应性能提升的第一性原理研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 011003-1, doi. 10.19855/j.1000-0364.2025.011003
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- Article
噻吩酰亚胺衍生物二阶非线性光学性质的 DFT 研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 011004-1, doi. 10.19855/j.1000-0364.2025.011004
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- Article
二氢杨梅素分子结构与性质的密度泛函理论研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 011005-1, doi. 10.19855/j.1000-0364.2025.011005
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- Article
掺杂单层 MoS<sub>2</sub> 电子结构与光催化性质的第一性原理计算.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 011006-1, doi. 10.19855/j.1000-0364.2025.011006
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- Article
基于结构动力学的 EGFR 罕见突变型 (S768I) 致 NSCLC 分子机制研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 011007-1, doi. 10.19855/j.1000-0364.2025.011007
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- Article
达卡巴嗪分子拉曼光谱的理论研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 011008-1, doi. 10.19855/j.1000-0364.2025.011008
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- Article
基于第一性原理的 Sc 掺杂 ZnO 对气体的吸附特性研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 011009-1, doi. 10.19855/j.1000-0364.2025.011009
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- Article
Ag<sup>+</sup>、Zn<sup>2+</sup>、Cr<sup>3+</sup> 改性Y型分子筛吸附脱除喹啉的模拟计算研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 012001-1, doi. 10.19855/j.1000-0364.2025.012001
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- Article
黑磷/黑砷异质结纳米器件热电性质应力调控研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 012002-1, doi. 10.19855/j.1000-0364.2025.022002
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- Article
石墨烯-硼烯共面异质结结构和性质计算研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 012003-1, doi. 10.19855/j.1000-0364.2025.012003
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- Article
Ru团簇对 Ni/Ni<sub>3</sub>Al 合金纳米线形变影响的原子模拟.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 012004-1, doi. 10.19855/j.1000-0364.2025.012004
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- Article
铂修饰氮化铝纳米管对CO的吸附性能研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 012005-1, doi. 10.19855/j.1000-0364.2025.012005
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- Article
等离子体改性聚酰亚胺热老化的分子模拟.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 013001-1, doi. 10.19855/j.1000-0364.2025.013001
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- Article
基于锥形超晶格 p-AlInGaN 层的 AlGaN 基深紫外发光二极管性能优化.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 014001-1, doi. 10.19855/j.1000-0364.2025.014001
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- Article
非厄米PT对称多通道光波导体系的调控及动力学.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 015001-1, doi. 10.19855/j.1000-0364.2025.015001
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- Article
二维光晶格中旋转玻色-爱因斯坦凝聚基态中的涡旋分布.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 016001-1, doi. 10.19855/j.1000-0364.2025.016001
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- Article
S 空位及非金属掺杂单层 Bi<sub>2</sub>S<sub>2</sub>Se 的第一性原理研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 016002-1, doi. 10.19855/j.1000-0364.2025.016002
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- Article
Ta-W/Hf合金的结构稳定性及力学性质的第一性原理计算.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 016003-1, doi. 10.19855/j.1000-0364.2025.016003
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- Article
基于密度泛函理论研究Co、Ni、As 掺杂载金黄铁矿的电子结构和稳定性.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 016004-1, doi. 10.19855/j.1000-0364.2025.016004
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- Article
稀土元素 Er、Yb 和 Y 掺杂 ZrO<sub>2</sub>的第一性原理研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 016005-1, doi. 10.19855/j.1000-0364.2025.016005
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基于第一性原理的镧掺杂氧化锌的性质研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 016006-1, doi. 10.19855/j.1000-0364.2025.016006
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- Article
稀土硼酸盐双折射材料的电子结构和光学性质的第一性原理研究.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 016007-1, doi. 10.19855/j.1000-0364.2025.016007
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- Article
β-Ga<sub>2</sub>O<sub>3</sub> 热电性能的第一性原理计算.
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- Journal of Atomic & Molecular Physics (1000-0364), 2025, v. 42, n. 1, p. 016008-1, doi. 10.19855/j.1000-0364.2025.016008
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