机译:AL_2CU和Al_2AU晶体阶段AL_2CU和AL_2AU晶体阶段原子和电子结构的影响通过AB Initio分子动力学模拟
International Center for New-Structured Materials (ICNSM) Laboratory of New-Structured Materials State Key Laboratory of Silicon Materials and Department of Materials Science and Engineering Zhejiang University Hangzhou 310027 People's Republic of C;
International Center for New-Structured Materials (ICNSM) Laboratory of New-Structured Materials State Key Laboratory of Silicon Materials and Department of Materials Science and Engineering Zhejiang University Hangzhou 310027 People's Republic of C;
International Center for New-Structured Materials (ICNSM) Laboratory of New-Structured Materials State Key Laboratory of Silicon Materials and Department of Materials Science and Engineering Zhejiang University Hangzhou 310027 People's Republic of C;
Melting point; Liquid structure; Cohesive energy; Spin orbit coupling; Density function theory;
机译:AL_2CU和Al_2AU晶体阶段AL_2CU和AL_2AU晶体阶段原子和电子结构的影响通过AB Initio分子动力学模拟
机译:从头算分子动力学模拟a-ZnSnO3 / a-SiO2界面的原子和电子结构
机译:超临界流体硒的电子和原子结构:从头算分子动力学模拟
机译:使用AB-Initio分子动力学研究液体HG-in合金原子结构
机译:三中心两种电子键的电子结构富含材料:使用AB初始正交的原子轨道方法的AB初始线性组合研究分子,晶体和无定形固体的研究
机译:逆激动剂结合诱导的视黄酸受体相关孤儿受体的结构变化:分子动力学和AB Initio分子轨道模拟
机译:结构的组成依赖性和电子特性 液相Ga-se合金的ab Initio分子动力学模拟研究
机译:用于原子和分子结构计算的从头算的有效自旋轨道算子CH,OH,siH,CO +,CO和siO的结果。