id author title date pages extension mime words sentence flesch summary cache txt hd76rx93b7s Mandelle Ann Danser Beyond the Gas Phase: Towards Modeling Bulk Ionic Liquids with a Comparison of Density Functional Tight Binding (DFTB) to Density Functional Theory (DFT) 2010 .txt text/plain 119 8 52 Since the expense of DFT methods is high with systems above 100 atoms, the DFTB method was used to study ionic liquid systems. This study proved that DFTB could accurately reproduce DFT results of neutral molecules, however, this was not consistently seen in ionic liquid systems. cache/hd76rx93b7s.txt txt/hd76rx93b7s.txt