Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University, Sendai, Japan TEL: +81-22-795-6930, e-mail: momoji@rift.mech.tohoku.ac.jp;
rnDepartment of Chemical Engineering, Graduate School of Engineering, Tohoku University, Sendai, Japan;
rnDepartment of Chemical Engineering, Graduate School of Engineering, Tohoku University, Sendai, Japan;
rnNew Industry Creation Hatchery Center, Tohoku University, Sendai, Japan;
rnDepartment of Chemical Engineering, Graduate School of Engineering, Tohoku University, Sendai, Japan;
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, Sendai, Japan;
rnDepartment of Applied Chemistry, Graduate School of Engineering, Tohoku University, Sendai, Japan;
rnDepartment of Applied Chemistry, Graduate Schoo;
molecular dynamics; quantum chemical molecular dynamics; MgO protecting layer; destruction; second electron emission ability;
机译:紧密结合的量子化学分子动力学模拟,用于阐明SF6 / O-2等离子体SiC蚀刻中的化学反应动力学
机译:紧密结合的量子化学分子动力学模拟,用于阐明SF6 / O-2等离子体SiC蚀刻中的化学反应动力学
机译:类金刚石碳的摩擦化学反应动力学和低摩擦机理的第一性原理分子动力学和紧密结合量子化学分子动力学模拟
机译:等离子显示板MgO保护层设计的分子动力学和量子化学分子动力学模拟
机译:通过量子力学,分子动力学和蒙特卡洛模拟设计用于清洁能源,催化和分子机器的分子和材料
机译:设计的发夹和TRP-COGE MINIPROTEINS中色氨酸的荧光:量子机械分子动力学模拟荧光产量和计算的测量
机译:第一原理分子动力学和紧密结合量子化学分子动力学模拟摩尼密碳动力学和低摩擦机制