-
4
-
-
84899956156
-
-
71-6 (Fundamental aspects of ionic liquid science)
-
Zahn S et al 2014 J. Mol. Liq. 192 71-6 (Fundamental aspects of ionic liquid science)
-
(2014)
J. Mol. Liq.
, vol.192
, pp. 71-76
-
-
Zahn, S.1
-
14
-
-
84916618564
-
-
1989-98
-
Livi S, Bugatti V, Marechal M, Soares B G, Barra G M O, Duchet-Rumeau J and Gerard J-F 2015 RSC Adv. 5 1989-98
-
(2015)
RSC Adv.
, vol.5
, pp. 1989-1998
-
-
Livi, S.1
Bugatti, V.2
Marechal, M.3
Soares, B.G.4
Barra, G.M.O.5
Duchet-Rumeau, J.6
Gerard, J.-F.7
-
17
-
-
84886097142
-
Ionic liquids in biomass processing
-
Kirchner B. Tan S and MacFarlane D vol ed B Kirchner (Berlin: Springer)
-
Tan S and MacFarlane D 2010 Ionic liquids in biomass processing Ionic Liquids vol 290 ed B Kirchner (Berlin: Springer)
-
(2010)
Ionic Liquids
, vol.290
-
-
Tan, S.1
MacFarlane, D.2
-
21
-
-
84888591110
-
-
232-50
-
MacFarlane D R, Tachikawa N, Forsyth M, Pringle J M, Howlett P C, Elliott G D, Davis J H, Watanabe M, Simon P and Angell C A 2014 Energy Environ. Sci. 7 232-50
-
(2014)
Energy Environ. Sci.
, vol.7
, pp. 232-250
-
-
MacFarlane, D.R.1
Tachikawa, N.2
Forsyth, M.3
Pringle, J.M.4
Howlett, P.C.5
Elliott, G.D.6
Davis, J.H.7
Watanabe, M.8
Simon, P.9
Angell, C.A.10
-
25
-
-
84922789467
-
-
687-90
-
Zheng Z-P, Fan W-H, Roy S, Mazur K, Nazet A, Buchner R, Bonn M and Hunger J 2015 Angew. Chem. Int. Ed. 54 687-90
-
(2015)
Angew. Chem. Int. Ed.
, vol.54
, pp. 687-690
-
-
Zheng, Z.-P.1
Fan, W.-H.2
Roy, S.3
Mazur, K.4
Nazet, A.5
Buchner, R.6
Bonn, M.7
Hunger, J.8
-
26
-
-
85010264108
-
-
697-700
-
Zheng Z-P, Fan W-H, Roy S, Mazur K, Nazet A, Buchner R, Bonn M and Hunger J 2015 Angew. Chem. 127 697-700
-
(2015)
Angew. Chem.
, vol.127
, pp. 697-700
-
-
Zheng, Z.-P.1
Fan, W.-H.2
Roy, S.3
Mazur, K.4
Nazet, A.5
Buchner, R.6
Bonn, M.7
Hunger, J.8
-
28
-
-
51749095229
-
-
3639-41
-
Zahn S, Uhlig F, Thar J, Spickermann C and Kirchner B 2008 Angew. Chem. Int. Ed. 47 3639-41
-
(2008)
Angew. Chem. Int. Ed.
, vol.47
, pp. 3639-3641
-
-
Zahn, S.1
Uhlig, F.2
Thar, J.3
Spickermann, C.4
Kirchner, B.5
-
36
-
-
67650389142
-
-
4962-7
-
Macfarlane D R, Forsyth M, Izgorodina E I, Abbott A P, Annat G and Fraser K 2009 Phys. Chem. Chem. Phys. 11 4962-7
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 4962-4967
-
-
Macfarlane, D.R.1
Forsyth, M.2
Izgorodina, E.I.3
Abbott, A.P.4
Annat, G.5
Fraser, K.6
-
38
-
-
33750378782
-
-
19593-600
-
Tokuda H, Tsuzuki S, Susan M A B H, Hayamizu K and Watanabe M 2006 J. Phys. Chem. B 110 19593-600
-
(2006)
J. Phys. Chem.
, vol.110
, pp. 19593-19600
-
-
Tokuda, H.1
Tsuzuki, S.2
Susan, M.A.B.H.3
Hayamizu, K.4
Watanabe, M.5
-
39
-
-
17044368786
-
-
6103-10
-
Tokuda H, Hayamizu K, Ishii K, Susan M A B H and Watanabe M 2005 J. Phys. Chem. B 109 6103-10
-
(2005)
J. Phys. Chem.
, vol.109
, pp. 6103-6110
-
-
Tokuda, H.1
Hayamizu, K.2
Ishii, K.3
Susan, M.A.B.H.4
Watanabe, M.5
-
43
-
-
79952092219
-
-
693-702
-
Kohagen M, Brehm M, Thar J, Zhao W, Müller-Plathe F and Kirchner B 2011 J. Phys. Chem. B 115 693-702
-
(2011)
J. Phys. Chem.
, vol.115
, pp. 693-702
-
-
Kohagen, M.1
Brehm, M.2
Thar, J.3
Zhao, W.4
Müller-Plathe, F.5
Kirchner, B.6
-
45
-
-
80051746259
-
Ionic liquids from theoretical investigations
-
Kirchner B. Kirchner B ed B Kirchner (Berlin: Springer)
-
Kirchner B 2010 Ionic liquids from theoretical investigations Ionic Liquids vol 290 ed B Kirchner (Berlin: Springer)
-
(2010)
Ionic Liquids
, vol.290
-
-
Kirchner, B.1
-
52
-
-
84885653155
-
-
18424-36
-
Malberg F, Brehm M, Holloczki O, Pensado A S and Kirchner B 2013 Phys. Chem. Chem. Phys. 15 18424-36
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 18424-18436
-
-
Malberg, F.1
Brehm, M.2
Holloczki, O.3
Pensado, A.S.4
Kirchner, B.5
-
53
-
-
84899539918
-
-
18017-24
-
Pensado A S, Malberg F, Costa Gomes M F, Pádua A A H, Fernández J and Kirchner B 2014 RSC Adv. 4 18017-24
-
(2014)
RSC Adv.
, vol.4
, pp. 18017-18024
-
-
Pensado, A.S.1
Malberg, F.2
Costa Gomes, M.F.3
Pádua, A.A.H.4
Fernández, J.5
Kirchner, B.6
-
54
-
-
84893134833
-
-
731-42
-
Paredes X, Fernández J, Pádua A A H, Malfreyt P, Malberg F, Kirchner B and Pensado A S 2014 J. Phys. Chem. B 118 731-42
-
(2014)
J. Phys. Chem.
, vol.118
, pp. 731-742
-
-
Paredes, X.1
Fernández, J.2
Pádua, A.A.H.3
Malfreyt, P.4
Malberg, F.5
Kirchner, B.6
Pensado, A.S.7
-
57
-
-
83455211516
-
-
4659-64
-
Zhang Q-G, Sun S-S, Pitula S, Liu Q-S, Welz-Biermann U and Zhang J-J 2011 J. Chem. Eng. Data 56 4659-64
-
(2011)
J. Chem. Eng. Data
, vol.56
, pp. 4659-4664
-
-
Zhang, Q.-G.1
Sun, S.-S.2
Pitula, S.3
Liu, Q.-S.4
Welz-Biermann, U.5
Zhang, J.-J.6
-
58
-
-
84947602793
-
-
2762-6
-
Qing-Shan L, Pei-Fang Y, Miao Y, Zhi-Cheng T, Chang-Ping L and Urs W-B 2011 Acta Phys. - Chim. Sin. 27 2762-6
-
(2011)
Acta Phys. - Chim. Sin.
, vol.27
, pp. 2762-2766
-
-
Qing-Shan, L.1
Pei-Fang, Y.2
Miao, Y.3
Zhi-Cheng, T.4
Chang-Ping, L.5
Urs, W.-B.6
-
59
-
-
80955132314
-
-
4094-101
-
Liu Q-S, Yang M, Li P-P, Sun S-S, Welz-Biermann U, Tan Z-C and Zhang Q-G 2011 J. Chem. Eng. Data 56 4094-101
-
(2011)
J. Chem. Eng. Data
, vol.56
, pp. 4094-4101
-
-
Liu, Q.-S.1
Yang, M.2
Li, P.-P.3
Sun, S.-S.4
Welz-Biermann, U.5
Tan, Z.-C.6
Zhang, Q.-G.7
-
60
-
-
0001293066
-
-
4164-70
-
MacFarlane D R, Meakin P, Sun J, Amini N and Forsyth M 1999 J. Phys. Chem. B 103 4164-70
-
(1999)
J. Phys. Chem.
, vol.103
, pp. 4164-4170
-
-
MacFarlane, D.R.1
Meakin, P.2
Sun, J.3
Amini, N.4
Forsyth, M.5
-
62
-
-
84857681879
-
-
1-10
-
Vila J, Fernández-Castro B, Rilo E, Carrete J, Domínguez-Pérez M, Rodríguez J, García M, Varela L and Cabeza O 2012 Fluid Phase Equilib. 320 1-10
-
(2012)
Fluid Phase Equilib.
, vol.320
, pp. 1-10
-
-
Vila, J.1
Fernández-Castro, B.2
Rilo, E.3
Carrete, J.4
Domínguez-Pérez, M.5
Rodríguez, J.6
García, M.7
Varela, L.8
Cabeza, O.9
-
64
-
-
33644931922
-
-
141-6
-
Vila J, Ginés P, Pico J, Franjo C, Jiménez E, Varela L and Cabeza O 2006 Fluid Phase Equilib. 242 141-6
-
(2006)
Fluid Phase Equilib.
, vol.242
, pp. 141-146
-
-
Vila, J.1
Ginés, P.2
Pico, J.3
Franjo, C.4
Jiménez, E.5
Varela, L.6
Cabeza, O.7
-
70
-
-
80054880336
-
-
1491-6
-
Lui M Y, Crowhurst L, Hallett J P, Hunt P A, Niedermeyer H and Welton T 2011 Chem. Sci. 2 1491-6
-
(2011)
Chem. Sci.
, vol.2
, pp. 1491-1496
-
-
Lui, M.Y.1
Crowhurst, L.2
Hallett, J.P.3
Hunt, P.A.4
Niedermeyer, H.5
Welton, T.6
-
79
-
-
84861078342
-
-
1845-53
-
Pensado A S, Brehm M, Thar J, Seitsonen A P and Kirchner B 2012 ChemPhysChem. 13 1845-53
-
(2012)
ChemPhysChem.
, vol.13
, pp. 1845-1853
-
-
Pensado, A.S.1
Brehm, M.2
Thar, J.3
Seitsonen, A.P.4
Kirchner, B.5
-
81
-
-
70449891416
-
-
15825-33
-
Zhao W, Leroy F, Heggen B, Zahn S, Kirchner B, Balasubramanian S and Müller-Plathe F 2009 J. Am. Chem. Soc. 131 15825-33
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 15825-15833
-
-
Zhao, W.1
Leroy, F.2
Heggen, B.3
Zahn, S.4
Kirchner, B.5
Balasubramanian, S.6
Müller-Plathe, F.7
-
86
-
-
0003644127
-
Microscopic dynamics in molten salts
-
Hansen J-P and McDonald I R (ed) 4th edn (Oxford: Academic)
-
Hansen J-P and McDonald I R (ed) 2013 Microscopic dynamics in molten salts Theory of Simple Liquids 4th edn (Oxford: Academic)
-
(2013)
Theory of Simple Liquids
-
-
Hansen, J.-P.1
McDonald, I.R.2
-
88
-
-
84875467657
-
-
3207-20
-
Méndez-Morales T, Carrete J, Bouzón-Capelo S, Pérez-Rodríguez M, Cabeza O, Gallego L J and Varela L M 2013 J. Phys. Chem. B 117 3207-20
-
(2013)
J. Phys. Chem.
, vol.117
, pp. 3207-3220
-
-
Méndez-Morales, T.1
Carrete, J.2
Bouzón-Capelo, S.3
Pérez-Rodríguez, M.4
Cabeza, O.5
Gallego, L.J.6
Varela, L.M.7
-
91
-
-
84947593953
-
-
An ab initio, density functional and semiempirical program package, V. 3.0 (Rev. 0); F Neese, Max Planck Instiut fudie;r Chemische Energiekonversion, Mudie;lheim a.d. Ruhr (Germany)
-
ORCA 2013 An ab initio, density functional and semiempirical program package, V. 3.0 (Rev. 0); F Neese, Max Planck Instiut für Chemische Energiekonversion, Mülheim a.d. Ruhr (Germany)
-
(2013)
An Ab Initio, Density Functional and Semiempirical Program Package, V. 3.0 (Rev. 0); F Neese, Max Planck Instiut für Chemische Energiekonversion, Mülheim A.d. Ruhr (Germany)
-
-
ORCA1
-
92
-
-
4243553426
-
-
3098-100
-
Becke A D 1988 Phys. Rev. A 38 3098-100
-
(1988)
Phys. Rev.
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
101
-
-
84947589282
-
-
TURBOMOLE version 6.5 2013 University of Karlsruhe and Forschungszentrum Karlsruhe GmbH Karlsruhe, Germany, www.turbomole.com
-
TURBOMOLE version 6.5 2013 University of Karlsruhe and Forschungszentrum Karlsruhe GmbH Karlsruhe, Germany, www.turbomole.com. - ref-separator -
-
-
-
-
105
-
-
84947609377
-
-
COSMOtherm, Version C2.1, Release 01.11; COSMOlogic GmbH and Co. KG, Leverkusen (Germany)
-
Eckert F and Klamt A 2010 COSMOtherm, Version C2.1, Release 01.11; COSMOlogic GmbH and Co. KG, Leverkusen (Germany)
-
(2010)
COSMOtherm, Version C2.1, Release 01.11; COSMOlogic GmbH and Co. KG, Leverkusen (Germany)
-
-
Eckert, F.1
Klamt, A.2
-
109
-
-
84915735579
-
-
177-89
-
Hansen A, Bannwarth C, Grimme S, Petrovi P, Werl C and Djukic J-P 2014 Chem. Open 3 177-89
-
(2014)
Chem. Open
, vol.3
, pp. 177-189
-
-
Hansen, A.1
Bannwarth, C.2
Grimme, S.3
Petrovi, P.4
Werl, C.5
Djukic, J.-P.6
-
110
-
-
84924383471
-
-
Johnson E.R. Steinmetz M, Hansen A, Ehrlich S, Risthaus T and Grimme S (Density Functionals vol 365) ed E R Johnson (Berlin: Springer)
-
Steinmetz M, Hansen A, Ehrlich S, Risthaus T and Grimme S 2015 Accurate thermochemistry for large molecules with modern Density functionals (Density Functionals vol 365) ed E R Johnson (Berlin: Springer)
-
(2015)
Accurate Thermochemistry for Large Molecules with Modern Density Functionals
-
-
Steinmetz, M.1
Hansen, A.2
Ehrlich, S.3
Risthaus, T.4
Grimme, S.5
-
112
-
-
15344345714
-
-
103-28
-
VandeVondele J, Krack M, Mohamed F, Parrinello M, Chassaing T and Hutter J 2005 Comput. Phys. Commun. 167 103-28
-
(2005)
Comput. Phys. Commun.
, vol.167
, pp. 103-128
-
-
VandeVondele, J.1
Krack, M.2
Mohamed, F.3
Parrinello, M.4
Chassaing, T.5
Hutter, J.6
-
116
-
-
72949122082
-
-
4834-9
-
Izgorodina E I, Bernard U L, Dean P M, Pringle J M and MacFarlane D R 2009 Cryst. Growth Des. 9 4834-9
-
(2009)
Cryst. Growth Des.
, vol.9
, pp. 4834-4839
-
-
Izgorodina, E.I.1
Bernard, U.L.2
Dean, P.M.3
Pringle, J.M.4
MacFarlane, D.R.5
-
125
-
-
84876716018
-
-
6608-22
-
Thomas M, Brehm M, Fligg R, Vöhringer P and Kirchner B 2013 Phys. Chem. Chem. Phys. 15 6608-22
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 6608-6622
-
-
Thomas, M.1
Brehm, M.2
Fligg, R.3
Vöhringer, P.4
Kirchner, B.5
-
126
-
-
84904316592
-
-
Thomas M, Brehm M, Hollóczki O, Kelemen Z, Nyulászi L, Pasinszki T and Kirchner B 2014 J. Chem. Phys. 141 024510
-
(2014)
J. Chem. Phys.
, vol.141
-
-
Thomas, M.1
Brehm, M.2
Hollóczki, O.3
Kelemen, Z.4
Nyulászi, L.5
Pasinszki, T.6
Kirchner, B.7
-
127
-
-
84947604320
-
-
327-7
-
Brehm M, Weber H, Thomas M, Hollóczki O and Kirchner B 2015 Chem. Phys. Chem 16 327-7
-
(2015)
Chem. Phys. Chem
, vol.16
, pp. 327-327
-
-
Brehm, M.1
Weber, H.2
Thomas, M.3
Hollóczki, O.4
Kirchner, B.5
-
128
-
-
0002467378
-
-
1-19 http://lammps.sandia.gov
-
Plimpton S 1995 J. Comp. Phys. 117 1-19 http://lammps.sandia.gov
-
(1995)
J. Comp. Phys.
, vol.117
, pp. 1-19
-
-
Plimpton, S.1
-
129
-
-
0029011701
-
-
5179-97
-
Cornell W D, Cieplak P, Bayly C I, Gould I R, Merz K M, Ferguson D M, Spellmeyer D C, Fox T, Caldwell J W and Kollman P A 1995 J. Am. Chem. Soc. 117 5179-97
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
137
-
-
84943502952
-
-
255-68
-
Nosé S 1984 Mol. Phys. 52 255-68
-
(1984)
Mol. Phys.
, vol.52
, pp. 255-268
-
-
Nosé, S.1
|