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Search Results - "广义梯度近似"
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Magnetism and Sound Velocities of Iron Carbide (Fe3C) under Pressure
by
Zhao-yi Zeng Cui-e Hu Xun Liu Ling-cang Cai
Published in
化学物理学报
(2014)
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First-principles Study of Adsorption and Dissociation of Methanol on the Pt(lO0) Surface
by
Zhuo Wang Er-jun Kan Jin-long Yang
Published in
化学物理学报
(2012)
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氢气在Na-MAZ和Li-MAZ沸石原子簇上的吸附
by
梁建明 章日光 赵强 董晋湘 王宝俊 李晋平
Published in
物理化学学报
(2011)
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Prediction of semiconducting behavior in minority spin of Co2CrZ (Z = Ga, Ge, As): LSDA
by
D. R Rai R. K. Thapa
Published in
半导体学报
(2012)
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甲烷在清洁Pd(111)及氧改性的Pd(111)表面解离的密度泛函理论研究
by
吕存琴 凌开成 王贵昌
Published in
Chinese journal of catalysis
(2009)
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基于第一性原理和热力学计算的TiAl-Nb金属间化合物稳定性和相关系研究
by
汪文洋
,
徐勇
,
田彬
,
甘信柱
,
王志刚
,
梁永锋
,
林均品
Published in
原子与分子物理学报
(2025)
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Pnnm-CrB4的高压物理性质探究
by
雷慧茹
,
张立宏
Published in
人工晶体学报
(15.07.2024)
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不同压力下储氢合金LaNi4Ge的电子结构及弹性性质第一性原理研究
by
孙丽丽
,
王心蕊
,
李永存
,
孙振旭
,
张旭昀
,
王勇
Published in
功能材料
(2023)
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钾掺杂对纤锌矿型氧化锌电子结构和光学性质的影响
by
马战红
,
于仁红
,
任凤章
Published in
河南科技大学学报(自然科学版)
(2024)
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Ruddlesden-Popper层状钙钛矿Bi8Ba4Mn8O28的电子结构与磁性的第一性原理
by
张铭
,
张持
,
王朝
,
彭铠
,
李赛楠
,
马林昊
,
王如志
Published in
北京工业大学学报
(01.06.2024)
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锗锡浓度对硅锗锡合金性能影响的研究
by
顾永顺
,
温淑敏
Published in
原子与分子物理学报
(2025)
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Ge1-x-ySixSny合金能带结构和光学性质的理论研究
by
顾永顺
,
温淑敏
Published in
人工晶体学报
(2024)
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(Ti1-xNbx)5AlC4(x=0.4,0.75,1)固溶体系的第一性原理研究
by
林园园
,
苗峰
,
冯世全
,
黄毅
,
徐敏
Published in
原子与分子物理学报
(2024)
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单层MoS2表面Fe,Ir掺杂对NO吸附与直接解离反应性能提升的理论计算
by
肖香珍
,
胡林峰
Published in
吉林大学学报(理学版)
(2024)
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气体吸附对V掺杂石墨烯电子结构与光学性质的影响
by
王梦娟
,
顾芳
,
李大林
,
刘清惓
,
侯智
,
张加宏
Published in
原子与分子物理学报
(2024)
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Si,Ge,Zr和Sn掺杂SrTiO3的电子结构和光催化性能第一性原理研究
by
熊明姚
,
孔维静
,
胡斌
,
杨淑敏
Published in
原子与分子物理学报
(2024)
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气体吸附对硅锗异质结纳米线电子结构与光学性质的影响
by
顾芳
,
陆春玲
,
刘清惓
,
张加宏
,
朱涵
Published in
原子与分子物理学报
(2024)
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稀土元素Lu,Sc掺杂GaN光电特性的第一性原理研究
by
付莎莎
,
肖清泉
,
姚云美
,
邹梦真
,
谢泉
Published in
原子与分子物理学报
(2024)
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基于择优掺杂取向研究Y掺杂量对ZnTe电子结构和吸收光谱的影响
by
李昊男
,
李聪
Published in
原子与分子物理学报
(2024)
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合金化元素Ru和Re在Ni3Al中的相互作用及其对力学性质的影响
by
胡雪兰
,
王梦媛
,
孙小清
,
王亚如
Published in
原子与分子物理学报
(2023)
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