Ionic liquids from theoretical investigations.
نویسنده
چکیده
Theoretical investigations of ionic liquids are reviewed. Three main cate-gories are discussed, i.e., static quantum chemical calculations (electronic structure methods), traditional molecular dynamics simulations and first-principles molecular dynamics simulations. Simple models are reviewed in brief.
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ورودعنوان ژورنال:
- Topics in current chemistry
دوره 290 شماره
صفحات -
تاریخ انتشار 2010