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机译:高岭石同质(“双缺陷”)替代的第一性原理研究
State Key Laboratory for Geomechanics and Deep Underground Engineering, China University of Mining and Technology,Beijing 100083, China;
State Key Laboratory for Geomechanics and Deep Underground Engineering, China University of Mining and Technology,Beijing 100083, China;
State Key Laboratory for Geomechanics and Deep Underground Engineering, China University of Mining and Technology,Beijing 100083, China;
Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
first-principles calculations; engineering of clays; formation energy; kaolinite; point defect; transition-energy level;
机译:SN2 +同构替代到羟基磷灰石的能量学:第一原理预测
机译:β结构对沸石骨架在沸石和吸附特性的影响中的研究
机译:第一原理研究了像Koolinite(001)和(001 over bar documentClass [12pt] {minimal} usepackage {ammath} usepackage {isysym} usepackage {amsfonts} usepackage {amssymb} usepackage的吸附行为 {amsbsy} usepackage {mathrsfs} usepackage {supmeek} setLength { oddsideDemargin} {-69pt} begin {document} $$$ bar {1} $$ end {document})曲面
机译:Monolayer Graphene的锗原子替代:一项第一原理研究
机译:石墨烯和碳纳米管的功能化和取代掺杂的第一性原理研究。
机译:同构取代的H-MAlPO-5材料在甲醇制烃反应中的系统研究
机译:钒铁矿Pb5(VO4)3Cl中的同构取代-拉曼光谱研究