Matches in SemOpenAlex for { <https://semopenalex.org/work/W2951692235> ?p ?o ?g. }
- W2951692235 endingPage "76" @default.
- W2951692235 startingPage "71" @default.
- W2951692235 abstract "Abstract We present a short overview of our results which have been obtained from theoretical investigations during the period of the SPP-1191 priority program. The liquid state of imidazolium-based ionic liquids and protic ionic liquids has been studied intensively in our group not only mainly from ab initio molecular dynamics simulations, but also from classical molecular dynamics simulations. Hydrogen bonds and intermolecular forces have also been examined by quantum chemical methods, and their influence on molecular and macroscopic properties is reviewed here. We have extended our investigations to the gas phase which has been studied from both classical and ab initio molecular dynamics simulations. More insights into water(-impurities) ionic liquid interactions have been gained, and mixtures of ionic liquids have been explored. The mechanism of reactions in ionic liquids and solute ionic liquid relationships as well as cation and anion effects — which is reflected in either an active or a passive role of the ionic liquid — have been considered." @default.
- W2951692235 created "2019-06-27" @default.
- W2951692235 creator A5012465070 @default.
- W2951692235 creator A5037761491 @default.
- W2951692235 creator A5038413552 @default.
- W2951692235 creator A5040295033 @default.
- W2951692235 creator A5045477860 @default.
- W2951692235 creator A5046180984 @default.
- W2951692235 creator A5047605419 @default.
- W2951692235 creator A5050916871 @default.
- W2951692235 creator A5073433096 @default.
- W2951692235 creator A5082895757 @default.
- W2951692235 creator A5088582997 @default.
- W2951692235 date "2014-04-01" @default.
- W2951692235 modified "2023-10-02" @default.
- W2951692235 title "Understanding ionic liquids from theoretical methods" @default.
- W2951692235 cites W1533163185 @default.
- W2951692235 cites W1585489811 @default.
- W2951692235 cites W1840525317 @default.
- W2951692235 cites W1878969881 @default.
- W2951692235 cites W1883779550 @default.
- W2951692235 cites W1963698474 @default.
- W2951692235 cites W1963922459 @default.
- W2951692235 cites W1965807944 @default.
- W2951692235 cites W1968958291 @default.
- W2951692235 cites W1970419395 @default.
- W2951692235 cites W1972354329 @default.
- W2951692235 cites W1973595984 @default.
- W2951692235 cites W1973752009 @default.
- W2951692235 cites W1974671064 @default.
- W2951692235 cites W1976863147 @default.
- W2951692235 cites W1978046662 @default.
- W2951692235 cites W1978529648 @default.
- W2951692235 cites W1978619727 @default.
- W2951692235 cites W1981885058 @default.
- W2951692235 cites W1982633565 @default.
- W2951692235 cites W1984176498 @default.
- W2951692235 cites W1985592644 @default.
- W2951692235 cites W1987684940 @default.
- W2951692235 cites W1988861887 @default.
- W2951692235 cites W1990152599 @default.
- W2951692235 cites W1990277472 @default.
- W2951692235 cites W1990894748 @default.
- W2951692235 cites W1991010825 @default.
- W2951692235 cites W1992155696 @default.
- W2951692235 cites W1993383767 @default.
- W2951692235 cites W1994153556 @default.
- W2951692235 cites W1997912121 @default.
- W2951692235 cites W2001187016 @default.
- W2951692235 cites W2001495707 @default.
- W2951692235 cites W2003656771 @default.
- W2951692235 cites W2005725452 @default.
- W2951692235 cites W2007957843 @default.
- W2951692235 cites W2008268922 @default.
- W2951692235 cites W2009115175 @default.
- W2951692235 cites W2011046075 @default.
- W2951692235 cites W2013157662 @default.
- W2951692235 cites W2013269110 @default.
- W2951692235 cites W2013478319 @default.
- W2951692235 cites W2015251818 @default.
- W2951692235 cites W2015839537 @default.
- W2951692235 cites W2016464593 @default.
- W2951692235 cites W2018652376 @default.
- W2951692235 cites W2019650243 @default.
- W2951692235 cites W2019657774 @default.
- W2951692235 cites W2022243995 @default.
- W2951692235 cites W2022506474 @default.
- W2951692235 cites W2023234296 @default.
- W2951692235 cites W2023428726 @default.
- W2951692235 cites W2025931674 @default.
- W2951692235 cites W2026870829 @default.
- W2951692235 cites W2027003996 @default.
- W2951692235 cites W2029992781 @default.
- W2951692235 cites W2030429141 @default.
- W2951692235 cites W2030976617 @default.
- W2951692235 cites W2031758186 @default.
- W2951692235 cites W2035950682 @default.
- W2951692235 cites W2036376596 @default.
- W2951692235 cites W2038991519 @default.
- W2951692235 cites W2039769792 @default.
- W2951692235 cites W2040580919 @default.
- W2951692235 cites W2043709433 @default.
- W2951692235 cites W2045386163 @default.
- W2951692235 cites W2045557804 @default.
- W2951692235 cites W2047012115 @default.
- W2951692235 cites W2047850266 @default.
- W2951692235 cites W2050147949 @default.
- W2951692235 cites W2051094745 @default.
- W2951692235 cites W2052319966 @default.
- W2951692235 cites W2054029467 @default.
- W2951692235 cites W2057480853 @default.
- W2951692235 cites W2057831874 @default.
- W2951692235 cites W2060151241 @default.
- W2951692235 cites W2062383224 @default.
- W2951692235 cites W2062393756 @default.
- W2951692235 cites W2062546532 @default.
- W2951692235 cites W2062633203 @default.
- W2951692235 cites W2063217685 @default.