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

2008 ◽  
Vol 112 (37) ◽  
pp. 11734-11742 ◽  
Author(s):  
Vladimir N. Emel’yanenko ◽  
Sergey P. Verevkin ◽  
Andreas Heintz ◽  
Jo-Anne Corfield ◽  
Alexey Deyko ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ionic Liquids ◽  
Ab Initio Calculations ◽  
Ab Initio

Photoionization and dissociation of BF3·((CH3)2O)n mixed aggregates (n=1, 2) studied by mass spectrometry and ab initio calculations

1997 ◽  
Vol 280 (3-4) ◽  
pp. 251-259 ◽  
Author(s):  
S. Ring ◽  
C.G. Eisenhardt ◽  
H. Baumgärtel
Keyword(s):  
Mass Spectrometry ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Mixed Aggregates

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

ChemInform Abstract: Formation and Structure of Molecular O=P-F. Mass Spectrometry, IR Spectra of the Matrix Isolated Species, and ab initio Calculations.

ChemInform ◽  
1987 ◽  
Vol 18 (11) ◽  
Author(s):  
R. AHLRICHS ◽  
R. BECHERER ◽  
M. BINNEWIES ◽  
H. BORRMANN ◽  
M. LAKENBRINK ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ir Spectra ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
The Matrix ◽  
Isolated Species

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 ◽  
Room Temperature Ionic Liquids

Formation and structure of molecular O:P-F. Mass spectrometry, infrared spectra of the matrix isolated species and ab initio calculations

1986 ◽  
Vol 108 (25) ◽  
pp. 7905-7911 ◽  
Author(s):  
Reinhart. Ahlrichs ◽  
Ralf. Becherer ◽  
Michael. Binnewies ◽  
Horst. Borrmann ◽  
Michael. Lakenbrink ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Infrared Spectra ◽  
The Matrix ◽  
Isolated Species
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