Crucial Role of Solvent-Impacted Molecular Anionic Resonances in Controlling Protonation Modes in the Acetonitrile–Water Anionic Cluster Revealed by ab Initio Molecular Dynamics Simulations
Wang, Shoushan, Liu, Jinxiang, Zhang, Changzhe, Guo, Li, Bu, YuxiangVolume:
118
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp5030284
Date:
October, 2014
File:
PDF, 1.56 MB
english, 2014