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Коллеги, помогите, пожалуйста, со следующей подборкой:

SD

1. The role of hydrogen atoms in interactions involving imidazolium-based ionic liquids
V. Kemptera, and B. Kirchner
Journal of Molecular Structure
Volume 972, Issues 1-3, 19 May 2010, Pages 22-34

Код: Выделить всё

http://dx.doi.org/10.1016/j.molstruc.2010.02.003

2. Theory of complicated liquids: Investigation of liquids, solvents and solvent effects with modern theoretical methods
Barbara Kirchner
Physics Reports
Volume 440, Issues 1-3, March 2007, Pages 1-111

Код: Выделить всё

http://dx.doi.org/10.1016/j.physrep.2006.11.005

ACS

3. Density Functionals with Broad Applicability in Chemistry
Yan Zhao and Donald G. Truhlar
Acc. Chem. Res., 2008, 41 (2), pp 157–167

DOI:

http://dx.doi.org/10.1021/ar700111a

4. Ionic Liquids from Car−Parrinello Simulations. 2. Structural Diffusion Leading to Large Anions in Chloraluminate Ionic Liquids
Barbara Kirchner and Ari P. Seitsonen
Inorg. Chem., 2007, 46 (7), pp 2751–2754

DOI:

http://dx.doi.org/10.1021/ic0624874

5. Validation of Dispersion-Corrected Density Functional Theory Approaches for Ionic Liquid Systems
Stefan Zahn and Barbara Kirchner
J. Phys. Chem. A, 2008, 112 (36), pp 8430–8435

DOI:

http://dx.doi.org/10.1021/jp805306u

6. Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids
Jens Thar, Martin Brehm, Ari P. Seitsonen and Barbara Kirchner
J. Phys. Chem. B, 2009, 113 (46), pp 15129–15132

DOI:

http://dx.doi.org/10.1021/jp908110j

7. On the Structure of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models I
Tianying Yan, Yanting Wang and Craig Knox
J. Phys. Chem. B, 2010, 114 (20), pp 6905–6921

DOI:

http://dx.doi.org/10.1021/jp9089112

8. Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide
Miriam Kohagen, Martin Brehm, Jens Thar, Wei Zhao, Florian Mller-Plathe, and Barbara Kirchner
J. Phys. Chem. B, 2011, 115 (4), pp 693–702

DOI:

http://dx.doi.org/10.1021/jp109612k

9. Are There Stable Ion-Pairs in Room-Temperature Ionic Liquids? Molecular Dynamics Simulations of 1-n-Butyl-3-methylimidazolium Hexafluorophosphate
Wei Zhao, Frdric Leroy, Berit Heggen, Stefan Zahn, Barbara Kirchner, Sundaram Balasubramanian and Florian Mller-Plathe
J. Am. Chem. Soc., 2009, 131 (43), pp 15825–15833

DOI:

http://dx.doi.org/10.1021/ja906337p

10. Ion-Pair Binding Energies of Ionic Liquids: Can DFT Compete with Ab Initio-Based Methods?
Ekaterina I. Izgorodina, Uditha L. Bernard and Douglas R. MacFarlane
J. Phys. Chem. A, 2009, 113 (25), pp 7064–7072

DOI:

http://dx.doi.org/10.1021/jp8107649

11.New Insights into the Relationship between Ion-Pair Binding Energy and Thermodynamic and Transport Properties of Ionic Liquids
Uditha L. Bernard, Ekaterina I. Izgorodina, and Douglas R. MacFarlane
J. Phys. Chem. C, 2010, 114 (48), pp 20472–20478

DOI:

http://dx.doi.org/10.1021/jp1048875

12.Ionic Liquids in Electrochemical Devices and Processes: Managing Interfacial Electrochemistry
Douglas R. MacFarlane, Maria Forsyth, Patrick C. Howlett, Jennifer M. Pringle, Jiazeng Sun, Gary Annat, Wayne Neil and Ekaterina I. Izgorodina
Acc. Chem. Res., 2007, 40 (11), pp 1165–1173

DOI:

http://dx.doi.org/10.1021/ar7000952

13. The Madelung Constant of Organic Salts
Ekaterina I. Izgorodina, Uditha L. Bernard, Pamela M. Dean, Jennifer M. Pringle and Douglas R. MacFarlane
Cryst. Growth Des., 2009, 9 (11), pp 4834–4839

DOI:

http://dx.doi.org/10.1021/cg900656z

CSIRO

14. The Structure of Imidazolium-Based Ionic Liquids: Insights From Ion-Pair Interactions
Patricia A. Hunt, Ian R. Gould, Barbara Kirchner
Australian Journal of Chemistry 60(1) 9–14

DOI:

http://dx.doi.org/10.1071/CH06301

WILEY

15. Intermolecular Forces in an Ionic Liquid ([Mmim][Cl]) versus Those in a Typical Salt (NaCl)
Stefan Zahn, Frank Uhlig, Jens Thar, Christian Spickermann, Barbara Kirchner
Angewandte Chemie International Edition
Volume 47, Issue 19, pages 3639–3641, April 28, 2008

DOI:

http://dx.doi.org/10.1002/anie.200705526

16. Characterising the Electronic Structure of Ionic Liquids: An Examination of the 1-Butyl-3-Methylimidazolium Chloride Ion Pair
Patricia A. Hunt, Barbara Kirchner, Tom Welton
Chemistry - A European Journal
Volume 12, Issue 26, pages 6762–6775, September 6, 2006

DOI:

http://dx.doi.org/10.1002/chem.200600103

17. Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
Journal of Computational Chemistry
Volume 27, Issue 15, pages 1787–1799, 30 November 2006

DOI:

http://dx.doi.org/10.1002/jcc.20495

18. Towards a Molecular Understanding of Cation–Anion Interactions—Probing the Electronic Structure of Imidazolium Ionic Liquids by NMR Spectroscopy, X-ray Photoelectron Spectroscopy and Theoretical Calculations
Till Cremer, Claudia Kolbeck, Kevin R. J. Lovelock, Natalia Paape, René Wölfel, Peter S. Schulz, Peter Wasserscheid, Henry Weber, Jens Thar, Barbara Kirchner, Florian Maier, Hans-Peter Steinrück
Chemistry - A European Journal
Volume 16, Issue 30, pages 9018–9033, August 9, 2010

DOI:

http://dx.doi.org/10.1002/chem.201001032

AIP

19. Why are ionic liquid ions mainly associated in water? A Car–Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture
C. Spickermann, J. Thar, S. B. C. Lehmann, S. Zahn, J. Hunger, R. Buchner, P. A. Hunt, T. Welton, and B. Kirchner
J. Chem. Phys. 129, 104505 (2008);

DOI:

http://dx.doi.org/10.1063/1.2974098

20. Cooperativity in ionic liquids
Simone Koßmann, Jens Thar, Barbara Kirchner, Patricia A. Hunt, and Tom Welton
J. Chem. Phys. 124, 174506 (2006);

DOI:

http://dx.doi.org/10.1063/1.2191493

21. Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ([CH3NH3][NO3]) from ab initio molecular dynamics simulations
Stefan Zahn, Jens Thar, and Barbara Kirchner
J. Chem. Phys. 132, 124506 (2010);

DOI:

http://dx.doi.org/10.1063/1.3354108

Springer

22. Upon the hydrogen-bonding ability of the H4 and H5 protons of the imidazolium cation
Ala'a K. Abdul-Sada, Salih Al-Juaid, Anthony M. Greenway, Peter B. Hitchcock, Matthew J. Howells, Kenneth R. Seddon and Thomas Welton
Structural Chemistry,1990
Volume 1, Number 4, 391-394,

DOI:

http://dx.doi.org/10.1007/BF01374488

23. Green Chemistry from Supercomputers: Car-Parrinello Simulations of Emim-Chloroaluminates Ionic Liquids
Barbara Kirchner and Ari Seitsonen
High Performance Computing on Vector Systems 2007
2008, Applications V, 213-227,

DOI:

http://dx.doi.org/10.1007/978-3-540-74384-2_16

24. Thermodynamics and Micro Heterogeneity of Ionic Liquids
Margarida F. Costa Gomes, J. N. Canongia Lopes and A. A. H. Padua
Ionic Liquids
Topics in Current Chemistry, 2010, Volume 290/2010, 161-183,

DOI:

http://dx.doi.org/10.1007/128_2009_2

25. NMR Spectroscopy in Ionic Liquds
Ralf Giernoth
Ionic Liquids
Topics in Current Chemistry, 2010, Volume 290/2010, 263-283,

DOI:

http://dx.doi.org/10.1007/128_2008_37

26. Ab initio studies on [bmim][PF6]-CO2 mixture and CO2 clusters
B. L. Bhargava, M. Saharay and S. Balasubramanian
Bulletin of Materials Science
Volume 31, Number 3, 327-334,

DOI:

http://dx.doi.org/10.1007/s12034-008-0052-y

27. Ionic Liquids from Theoretical Investigations
Barbara Kirchner
Ionic Liquids
Topics in Current Chemistry, 2010, Volume 290/2010, 213-262,

DOI:

http://dx.doi.org/10.1007/128_2008_36

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