Hydrogen bonding and molecular mobility in liquid water in external electromagnetic fields
作者： Niall J. English , J. M. D. MacElroy
DOI: 10.1063/1.1624363
关键词:
摘要: Nonequilibrium molecular dynamics simulations of water have been performed in the isothermal–isobaric ensemble presence external electromagnetic fields varying intensity microwave to far-infrared frequency range, using a rigid/polarizable and flexible/nonpolarizable potential model, from 260 400 K. Significant alterations mobility hydrogen bonding patterns were found vis-a-vis zero-field conditions. In addition, influence on these observations was gauged by means comparison with pure Newtonian simulation findings fields, former results reasonable accord latter.
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