机译:直接化学动力学模拟
Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, United States;
Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, United States;
Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, United States;
Department of Chemistry and Biochemistry, Siena College, Loudonville, New York 12211, United States;
Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, United States;
机译:微透透过的HOO-(H2O)+ CH3Cl S(n)2反应的动态出口通道途径:来自直接化学动力学模拟原子水平的反应机制
机译:通过直接化学动力学模拟甲酰胺的单模分解
机译:使用反应性分子动力学模拟从MOO3表面的直接硫化的化学气相沉积合成MOS2层
机译:Quantum化学分子动力学模拟MOS {Sub} 2呋喃代夫的化学反应动态
机译:隔离和复杂环境中视网膜质子化席夫碱的激发态动力学的直接QM / MM模拟。
机译:无偏分子动力学模拟揭示不同pH下α-syn12肽的转向定向α-β构象转变
机译:通过直接化学动力学模拟竞争哈龙解离的分子和自由基途径
机译:反应集合分子动力学:化学反应混合物动态平衡特性的直接模拟