Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code
利用LIO代码进行QM/MM分子动力学模拟，探索化学反应性和光谱学特性
期刊:Frontiers in Chemistry
影响因子:4.2
doi:10.3389/fchem.2018.00070
Marcolongo, Juan P; Zeida, Ari; Semelak, Jonathan A; Foglia, Nicolás O; Morzan, Uriel N; Estrin, Dario A; González Lebrero, Mariano C; Scherlis, Damián A
