Imidazolium-Based Ionic Liquids. 1-Methyl Imidazolium Nitrate: Thermochemical Measurements and Ab Initio Calculations

2009 ◽  
Vol 113 (29) ◽  
pp. 9871-9876 ◽  
Author(s):  
Vladimir N. Emel’yanenko ◽  
Sergey P. Verevkin ◽  
Andreas Heintz ◽  
Karsten Voss ◽  
Axel Schulz
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Ionic Liquids ◽  
Ab Initio Calculations ◽  
Ab Initio

Pyrrolidinium-Based Ionic Liquids. 1-Butyl-1-methyl Pyrrolidinium Dicyanoamide: Thermochemical Measurement, Mass Spectrometry, and ab Initio Calculations

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Vol 112 (37) ◽  
pp. 11734-11742 ◽  
Author(s):  
Vladimir N. Emel’yanenko ◽  
Sergey P. Verevkin ◽  
Andreas Heintz ◽  
Jo-Anne Corfield ◽  
Alexey Deyko ◽  
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Mass Spectrometry ◽  
Ionic Liquids ◽  
Ab Initio Calculations ◽  
Ab Initio

Prediction of Macroscopic Properties of Protic Ionic Liquids by Ab Initio Calculations

2007 ◽  
Vol 111 (35) ◽  
pp. 8717-8723 ◽  
Author(s):  
Henrik Markusson ◽  
Jean-Philippe Belières ◽  
Patrik Johansson ◽  
C. Austen Angell ◽  
Per Jacobsson
Keyword(s):  
Ionic Liquids ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Protic Ionic Liquids ◽  
Macroscopic Properties

Towards large-scale, fully ab initio calculations of ionic liquids

2011 ◽  
Vol 13 (10) ◽  
pp. 4189 ◽  
Author(s):  
Ekaterina I. Izgorodina
Keyword(s):  
Ionic Liquids ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Large Scale

Ionic Liquids Based on FeCl3and FeCl2. Raman Scattering and ab Initio Calculations

2001 ◽  
Vol 40 (10) ◽  
pp. 2298-2304 ◽  
Author(s):  
Melissa S. Sitze ◽  
Eric R. Schreiter ◽  
Eric V. Patterson ◽  
R. Griffith Freeman
Keyword(s):  
Ionic Liquids ◽  
Raman Scattering ◽  
Ab Initio Calculations ◽  
Ab Initio

Use of ab Initio Calculations toward the Rational Design of Room Temperature Ionic Liquids

2003 ◽  
Vol 107 (13) ◽  
pp. 2277-2288 ◽  
Author(s):  
Elizabeth A. Turner ◽  
Cory C. Pye ◽  
Robert D. Singer
Keyword(s):  
Ionic Liquids ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Rational Design ◽  
Room Temperature ◽  
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Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations

2016 ◽  
Vol 121 (1) ◽  
pp. 208-220 ◽  
Author(s):  
Eric J. Berquist ◽  
Clyde A. Daly ◽  
Thomas Brinzer ◽  
Krista K. Bullard ◽  
Zachary M. Campbell ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquids ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
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Ab initio calculations of the interaction between thiophene and ionic liquids

2008 ◽  
Vol 89 (12) ◽  
pp. 1456-1460 ◽  
Author(s):  
Jinxia Zhou ◽  
Jingbo Mao ◽  
Shuguang Zhang
Keyword(s):  
Ionic Liquids ◽  
Ab Initio Calculations ◽  
Ab Initio
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