SCOPUS 정보 검색 플랫폼

Volumn 192, Issue , 2014, Pages 71-76

Understanding ionic liquids from theoretical methods

(11) Zahn, Stefan a Brehm, Martin a Brüssel, Marc a Hollóczki, Oldamur b Kohagen, Miriam a Lehmann, Sebastian a Malberg, Friedrich b Pensado, Alfonso Sanmartin a Schöppke, Matthias a Weber, Henry b Kirchner, Barbara b

a UNIVERSITY OF LEIPZIG (Germany)

b UNIVERSITY OF BONN (Germany)

Author keywords

Ab initio molecular dynamics simulations; Dispersion interactions; Ionic liquids; Mixtures; Molecular dynamics simulations; Quantum chemistry; Solvent Effects

Indexed keywords

CARBON DIOXIDE; HYDROGEN BONDS; MIXTURES; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SOLVENTS;

AB INITIO MOLECULAR DYNAMICS SIMULATION; CLASSICAL MOLECULAR DYNAMICS; DISPERSION INTERACTION; IMIDAZOLIUM-BASED IONIC LIQUID; MOLECULAR DYNAMICS SIMULATIONS; QUANTUM-CHEMICAL METHODS; SOLVENT EFFECTS; THEORETICAL INVESTIGATIONS;

IONIC LIQUIDS;

EID: 84899956156 PISSN: 01677322 EISSN: None Source Type: Journal
DOI: 10.1016/j.molliq.2013.08.015 Document Type: Article

Times cited : (63)

References (130)

1
- 34547854208
- S. Kossmann, J. Thar, B. Kirchner, P.A. Hunt, and T. Welton J. Chem. Phys. 124 2006 174506
- (2006) J. Chem. Phys. , vol.124 , pp. 174506
- Kossmann, S.¹ Thar, J.² Kirchner, B.³ Hunt, P.A.⁴ Welton, T.⁵

2
- 24644486893
- Y. Wang, and G.A.J. Voth Am. Chem. Soc. 127 2005 12192 12193
- (2005) Am. Chem. Soc. , vol.127 , pp. 12192-12193
- Wang, Y.¹ Voth, G.A.J.²

3
- 33644892197
- J. Canongia Lopes, and A.J. Pádua Phys. Chem. B 110 2006 3330 3335
- (2006) Phys. Chem. B , vol.110 , pp. 3330-3335
- Canongia Lopes, J.¹ Pádua, A.J.²

4
- 34249707266
- A. Triolo, O. Russina, H.-J. Bleif, and E.J. Di Cola Phys. Chem. B 111 2007 4641 4644
- (2007) Phys. Chem. B , vol.111 , pp. 4641-4644
- Triolo, A.¹ Russina, O.² Bleif, H.-J.³ Di Cola, E.J.⁴

5
- 34249747277
- D. Xiao, J.R. Rajian, A. Cady, S. Li, R.A. Bartsch, and E.L.J. Quitevis Phys. Chem. B 111 2007 4669 4677
- (2007) Phys. Chem. B , vol.111 , pp. 4669-4677
- Xiao, D.¹ Rajian, J.R.² Cady, A.³ Li, S.⁴ Bartsch, R.A.⁵ Quitevis, E.L.J.⁶

6
- 34247144158
- V.N. Emel'yanenko, S.P. Verevkin, and A.J. Heintz Am. Chem. Soc. 129 2007 3930 3937
- (2007) Am. Chem. Soc. , vol.129 , pp. 3930-3937
- Emel'Yanenko, V.N.¹ Verevkin, S.P.² Heintz, A.J.³

7
- 37349025457
- Y. Wang, W. Jiang, T. Yan, and G.A. Voth Acc. Chem. Res. 40 2007 1193 1199
- (2007) Acc. Chem. Res. , vol.40 , pp. 1193-1199
- Wang, Y.¹ Jiang, W.² Yan, T.³ Voth, G.A.⁴

8
- 37349040750
- A.A.H. Pádua, M.F. Costa Gomes, and J.N.A. Canongia Lopes Acc. Chem. Res. 40 2007 1087 1096
- (2007) Acc. Chem. Res. , vol.40 , pp. 1087-1096
- Pádua, A.A.H.¹ Costa Gomes, M.F.² Canongia Lopes, J.N.A.³

9
- 37349073029
- R.M. Lynden-Bell, M.G. Del Pópolo, T.G.A. Youngs, J. Kohanoff, C.G. Hanke, J.B. Harper, and C.C. Pinilla Acc. Chem. Res. 40 2007 1138 1145
- (2007) Acc. Chem. Res. , vol.40 , pp. 1138-1145
- Lynden-Bell, R.M.¹ Del Pópolo, M.G.² Youngs, T.G.A.³ Kohanoff, J.⁴ Hanke, C.G.⁵ Harper, J.B.⁶ Pinilla, C.C.⁷

10
- 47549107272
- B.L. Bhargava, S. Balasubramanian, and M.L. Klein Chem. Commun. 2008 3339 3351
- (2008) Chem. Commun. , pp. 3339-3351
- Bhargava, B.L.¹ Balasubramanian, S.² Klein, M.L.³

11
- 75649151171
- B. Kirchner Top. Curr. Chem. 290 2009 213 262
- (2009) Top. Curr. Chem. , vol.290 , pp. 213-262
- Kirchner, B.¹

12
- 70349592987
- E.J. Maginn J. Phys. Condens. Matter 21 2009 373101
- (2009) J. Phys. Condens. Matter , vol.21 , pp. 373101
- Maginn, E.J.¹

13
- 79951914690
- E.I. Izgorodina Phys. Chem. Chem. Phys. 13 2011 4189 4207
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 4189-4207
- Izgorodina, E.I.¹

14
- 84899947473
- S. Zahn, and B. Kirchner Chem. Modell. 9 2012 1 24
- (2012) Chem. Modell. , vol.9 , pp. 1-24
- Zahn, S.¹ Kirchner, B.²

15
- 0242626227
- P. Bonhôte, A.-P. Dias, N. Papageorgiou, K. Kalyanasundaram, and M. Grätzel Inorg. Chem. 35 1996 1168 1178
- (1996) Inorg. Chem. , vol.35 , pp. 1168-1178
- Bonhôte, P.¹ Dias, A.-P.² Papageorgiou, N.³ Kalyanasundaram, K.⁴ Grätzel, M.⁵

16
- 0031127122
- K.R.J. Seddon Chem. Technol. Biotechnol. 68 1997 351 356
- (1997) Chem. Technol. Biotechnol. , vol.68 , pp. 351-356
- Seddon, K.R.J.¹

17
- 0000661241
- J. Sun, M. Forsyth, and D.R.J. MacFarlane Phys. Chem. B 102 1998 8858 8864
- (1998) Phys. Chem. B , vol.102 , pp. 8858-8864
- Sun, J.¹ Forsyth, M.² Macfarlane, D.R.J.³

18
- 0033889144
- D.R. MacFarlane, J. Sun, J. Golding, P. Meakin, and M. Forsyth Electrochim. Acta 45 2000 1271 1278
- (2000) Electrochim. Acta , vol.45 , pp. 1271-1278
- Macfarlane, D.R.¹ Sun, J.² Golding, J.³ Meakin, P.⁴ Forsyth, M.⁵

19
- 0000034575
- P. Wasserscheid, and W. Keim Angew. Chem. Int. Ed. 39 2000 3772 3789
- (2000) Angew. Chem. Int. Ed. , vol.39 , pp. 3772-3789
- Wasserscheid, P.¹ Keim, W.²

20
- 0036059096
- H. Matsumoto, H. Kageyama, and Y. Miyazaki Chem. Commun. 2002 1726 1727
- (2002) Chem. Commun. , pp. 1726-1727
- Matsumoto, H.¹ Kageyama, H.² Miyazaki, Y.³

21
- 0037863060
- D.M. Eike, J.F. Brennecke, and E.J. Maginn Green Chem. 5 2003 323 328
- (2003) Green Chem. , vol.5 , pp. 323-328
- Eike, D.M.¹ Brennecke, J.F.² Maginn, E.J.³

22
- 0004145285
- Wiley-VCH Weinheim
- P. Wasserscheid, and T. Welton Ionic Liquids in Synthesis 2003 Wiley-VCH Weinheim
- (2003) Ionic Liquids in Synthesis
- Wasserscheid, P.¹ Welton, T.²

23
- 0037716995
- E. Turner, C. Pye, and R.J. Singer Phys. Chem. A 107 2003 2277 2288
- (2003) Phys. Chem. A , vol.107 , pp. 2277-2288
- Turner, E.¹ Pye, C.² Singer, R.J.³

24
- 4344688786
- T. Yan, C.J. Burnham, M.G. Del Pópolo, and G.A.J. Voth Phys. Chem. B 108 2004 11877 11881
- (2004) Phys. Chem. B , vol.108 , pp. 11877-11881
- Yan, T.¹ Burnham, C.J.² Del Pópolo, M.G.³ Voth, G.A.J.⁴

25
- 1242265582
- M. Del Pópolo, and G.J. Voth Phys. Chem. B 108 2004 1744 1752
- (2004) Phys. Chem. B , vol.108 , pp. 1744-1752
- Del Pópolo, M.¹ Voth, G.J.²

26
- 26944493390
- M. Bühl, A. Chaumont, R. Schurhammer, and G.J. Wipff Phys. Chem. B 109 2005 18591 18599
- (2005) Phys. Chem. B , vol.109 , pp. 18591-18599
- Bühl, M.¹ Chaumont, A.² Schurhammer, R.³ Wipff, G.J.⁴

27
- 24744442202
- S. Tsuzuki, H. Tokuda, K. Hayamizu, and M.J. Watanabe Phys. Chem. B. 109 2005 16474 16481
- (2005) Phys. Chem. B. , vol.109 , pp. 16474-16481
- Tsuzuki, S.¹ Tokuda, H.² Hayamizu, K.³ Watanabe, M.J.⁴

28
- 33748264231
- K. Dong, S. Zhang, D. Wang, and X.J. Yao Phys. Chem. A 110 2006 9775 9782
- (2006) Phys. Chem. A , vol.110 , pp. 9775-9782
- Dong, K.¹ Zhang, S.² Wang, D.³ Yao, X.J.⁴

29
- 33744749908
- A. Rivera, and E.A. Rössler Phys. Rev. B 73 2006 212201
- (2006) Phys. Rev. B , vol.73 , pp. 212201
- Rivera, A.¹ Rössler, E.A.²

30
- 34047155707
- A. Rivera, A. Brodin, A. Pugachev, and E.A. Rössler J. Chem. Phys. 126 2007 114503
- (2007) J. Chem. Phys. , vol.126 , pp. 114503
- Rivera, A.¹ Brodin, A.² Pugachev, A.³ Rössler, E.A.⁴

31
- 34548137766
- S. Tsuzuki, H. Tokuda, and M. Mikami Phys. Chem. Chem. Phys. 9 2007 4780 4784
- (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 4780-4784
- Tsuzuki, S.¹ Tokuda, H.² Mikami, M.³

32
- 34249725526
- P.A.J. Hunt Phys. Chem. B 111 2007 4844 4853
- (2007) Phys. Chem. B , vol.111 , pp. 4844-4853
- Hunt, P.A.J.¹

33
- 34648843457
- B.L. Bhargava, and S. Balasubramanian J. Chem. Phys. 127 2007 114510
- (2007) J. Chem. Phys. , vol.127 , pp. 114510
- Bhargava, B.L.¹ Balasubramanian, S.²

34
- 33846615867
- E.I. Izgorodina, M. Forsyth, and D.R. MacFarlane Aust. J. Chem. 60 2007 15 20
- (2007) Aust. J. Chem. , vol.60 , pp. 15-20
- Izgorodina, E.I.¹ Forsyth, M.² Macfarlane, D.R.³

35
- 34247333334
- I. López-Martin, E. Burello, P.N. Davey, K.R. Seddon, and G. Rothenberg Chemphyschem 8 2007 690 695
- (2007) Chemphyschem , vol.8 , pp. 690-695
- López-Martin, I.¹ Burello, E.² Davey, P.N.³ Seddon, K.R.⁴ Rothenberg, G.⁵

36
- 35448965226
- S. Fang, L. Yang, C. Wei, C. Peng, K. Tachibana, and K. Kamijima Electrochem. Commun. 9 2007 2696 2702
- (2007) Electrochem. Commun. , vol.9 , pp. 2696-2702
- Fang, S.¹ Yang, L.² Wei, C.³ Peng, C.⁴ Tachibana, K.⁵ Kamijima, K.⁶

37
- 38349047179
- N.V. Plechkova, and K.R. Seddon Chem. Soc. Rev. 37 2008 123 150
- (2008) Chem. Soc. Rev. , vol.37 , pp. 123-150
- Plechkova, N.V.¹ Seddon, K.R.²

38
- 55249105469
- K. Fumino, A. Wulf, and R. Ludwig Angew. Chem. Int. Ed. 47 2008 8731 8734
- (2008) Angew. Chem. Int. Ed. , vol.47 , pp. 8731-8734
- Fumino, K.¹ Wulf, A.² Ludwig, R.³

39
- 49649099745
- T.G.A. Youngs, and C. Hardacre Chemphyschem 9 2008 1548 1558
- (2008) Chemphyschem , vol.9 , pp. 1548-1558
- Youngs, T.G.A.¹ Hardacre, C.²

40
- 45149121128
- C. Schröder, and O. Steinhauser J. Chem. Phys. 128 2008 224503
- (2008) J. Chem. Phys. , vol.128 , pp. 224503
- Schröder, C.¹ Steinhauser, O.²

41
- 49749135179
- H.V. Spohr, and G.N. Patey J. Chem. Phys. 129 2008 064517
- (2008) J. Chem. Phys. , vol.129 , pp. 064517
- Spohr, H.V.¹ Patey, G.N.²

42
- 62549134436
- H.V. Spohr, and G.N. Patey J. Chem. Phys. 130 2009 104506
- (2009) J. Chem. Phys. , vol.130 , pp. 104506
- Spohr, H.V.¹ Patey, G.N.²

43
- 73449103122
- R.M. Lynden-Bell, and T.G.A. Youngs J. Phys. Condens. Matter 21 2009 424120
- (2009) J. Phys. Condens. Matter , vol.21 , pp. 424120
- Lynden-Bell, R.M.¹ Youngs, T.G.A.²

44
- 69949185259
- O.J. Borodin Phys. Chem. B 113 2009 11463 11478
- (2009) Phys. Chem. B , vol.113 , pp. 11463-11478
- Borodin, O.J.¹

45
- 77952213233
- J. Schmidt, C. Krekeler, F. Dommert, Y. Zhao, R. Berger, L. Delle Site, and C.J. Holm Phys. Chem. B 114 2010 6150 6155
- (2010) Phys. Chem. B , vol.114 , pp. 6150-6155
- Schmidt, J.¹ Krekeler, C.² Dommert, F.³ Zhao, Y.⁴ Berger, R.⁵ Delle Site, L.⁶ Holm, C.J.⁷

46
- 77956252339
- J. Leys, R.N. Rajesh, P.C. Menon, C. Glorieux, S. Longuemart, P. Nockemann, M. Pellens, and K. Binnemans J. Chem. Phys. 133 2010 034503
- (2010) J. Chem. Phys. , vol.133 , pp. 034503
- Leys, J.¹ Rajesh, R.N.² Menon, P.C.³ Glorieux, C.⁴ Longuemart, S.⁵ Nockemann, P.⁶ Pellens, M.⁷ Binnemans, K.⁸

47
- 77951694718
- H.V. Spohr, and G.N. Patey J. Chem. Phys. 132 2010 154504
- (2010) J. Chem. Phys. , vol.132 , pp. 154504
- Spohr, H.V.¹ Patey, G.N.²

48
- 77951100660
- D. Bedrov, O. Borodin, Z. Li, and G.D.J. Smith Phys. Chem. B 114 2010 4984 4997
- (2010) Phys. Chem. B , vol.114 , pp. 4984-4997
- Bedrov, D.¹ Borodin, O.² Li, Z.³ Smith, G.D.J.⁴

49
- 78049297993
- C. Schröder, and O. Steinhauser J. Chem. Phys. 133 2010 154511
- (2010) J. Chem. Phys. , vol.133 , pp. 154511
- Schröder, C.¹ Steinhauser, O.²

50
- 75749140578
- H. Nakano, T. Yamamoto, and S. Kato J. Chem. Phys. 132 2010 044106
- (2010) J. Chem. Phys. , vol.132 , pp. 044106
- Nakano, H.¹ Yamamoto, T.² Kato, S.³

51
- 77952767430
- T. Yan, Y. Wang, and C.J. Knox Phys. Chem. B 114 2010 6886 6904
- (2010) Phys. Chem. B , vol.114 , pp. 6886-6904
- Yan, T.¹ Wang, Y.² Knox, C.J.³

52
- 79953775526
- T. Endo, M. Imanari, H. Seki, and K.J. Nishikawa Phys. Chem. A 115 2011 2999 3005
- (2011) Phys. Chem. A , vol.115 , pp. 2999-3005
- Endo, T.¹ Imanari, M.² Seki, H.³ Nishikawa, K.J.⁴

53
- 80053536091
- H. Liu, and E. Maginn J. Chem. Phys. 135 2011 124507
- (2011) J. Chem. Phys. , vol.135 , pp. 124507
- Liu, H.¹ Maginn, E.²

54
- 51749095229
- S. Zahn, F. Uhlig, J. Thar, C. Spickermann, and B. Kirchner Angew. Chem. Int. Ed. 47 2008 3639 3641
- (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

55
- 60149084718
- S. Zahn, G. Bruns, J. Thar, and B. Kirchner Phys. Chem. Chem. Phys. 10 2008 6921 6924
- (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 6921-6924
- Zahn, S.¹ Bruns, G.² Thar, J.³ Kirchner, B.⁴

56
- 70449891416
- W. Zhao, F. Leroy, B. Heggen, S. Zahn, B. Kirchner, S. Balasubramanian, and F.J. Müller-Plathe Am. Chem. Soc. 131 2009 15825 15833
- (2009) 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.J.⁷

57
- 77954374718
- S.B.C. Lehmann, M. Roatsch, M. Schöppke, and B. Kirchner Phys. Chem. Chem. Phys. 12 2010 7473 7486
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 7473-7486
- Lehmann, S.B.C.¹ Roatsch, M.² Schöppke, M.³ Kirchner, B.⁴

58
- 84255214323
- M. Kohagen et al. J. Phys. Chem. B 115 2011 15280 15288
- (2011) J. Phys. Chem. B , vol.115 , pp. 15280-15288
- Kohagen, M.¹

59
- 64249161022
- J.P. Hallett, C.L. Liotta, G. Ranieri, and T.J. Welton Org. Chem. 74 2009 1864 1868
- (2009) Org. Chem. , vol.74 , pp. 1864-1868
- Hallett, J.P.¹ Liotta, C.L.² Ranieri, G.³ Welton, T.J.⁴

60
- 77950447214
- S. Zahn, J. Thar, and B. Kirchner J. Chem. Phys. 132 2010 124506
- (2010) J. Chem. Phys. , vol.132 , pp. 124506
- Zahn, S.¹ Thar, J.² Kirchner, B.³

61
- 0037069824
- T.I. Morrow, and E.J.J. Maginn Phys. Chem. B 106 2002 12807 12813
- (2002) Phys. Chem. B , vol.106 , pp. 12807-12813
- Morrow, T.I.¹ Maginn, E.J.J.²

62
- 26944477725
- B.L. Bhargava, and S. Balasubramanian J. Chem. Phys. 123 2005 144505
- (2005) J. Chem. Phys. , vol.123 , pp. 144505
- Bhargava, B.L.¹ Balasubramanian, S.²

63
- 79952092219
- M. Kohagen, M. Brehm, J. Thar, W. Zhao, F. Müller-Plathe, and B.J. Kirchner Phys. Chem. B 115 2011 693 702
- (2011) Phys. Chem. B , vol.115 , pp. 693-702
- Kohagen, M.¹ Brehm, M.² Thar, J.³ Zhao, W.⁴ Müller-Plathe, F.⁵ Kirchner, B.J.⁶

64
- 77952100635
- V. Kempter, and B.J. Kirchner Mol. Struct. 972 2010 22 34
- (2010) Mol. Struct. , vol.972 , pp. 22-34
- Kempter, V.¹ Kirchner, B.J.²

65
- 70449595642
- J. Thar, M. Brehm, A.P. Seitsonen, and B.J. Kirchner Phys. Chem. B 113 2009 15129 15132
- (2009) Phys. Chem. B , vol.113 , pp. 15129-15132
- Thar, J.¹ Brehm, M.² Seitsonen, A.P.³ Kirchner, B.J.⁴

66
- 84903372371
- 10.1063/1.4818540
- H. Weber, A.S. Pensado, O. Hollóczki, and B. Kirchner J. Chem. Phys. 139 2013 084502 10.1063/1.4818540
- (2013) J. Chem. Phys. , vol.139 , pp. 084502
- Weber, H.¹ Pensado, A.S.² Hollóczki, O.³ Kirchner, B.⁴

67
- 46949110592
- R. Atkin, and G.G.J. Warr Phys. Chem. B 112 2008 4164 4166
- (2008) Phys. Chem. B , vol.112 , pp. 4164-4166
- Atkin, R.¹ Warr, G.G.J.²

68
- 67650466576
- Y. Umebayashi, W.-L. Chung, T. Mitsugi, S. Fukuda, M. Takeuchi, K. Fujii, T. Takamuku, R. Kanzaki, and S.-I.J. Ishiguro Comput. Chem. Jpn. 7 2008 125 134
- (2008) Comput. Chem. Jpn. , vol.7 , pp. 125-134
- Umebayashi, Y.¹ Chung, W.-L.² Mitsugi, T.³ Fukuda, S.⁴ Takeuchi, M.⁵ Fujii, K.⁶ Takamuku, T.⁷ Kanzaki, R.⁸ Ishiguro, S.-I.J.⁹

69
- 77955331625
- T.L. Greaves, D.F. Kennedy, S.T. Mudie, and C.J.J. Drummond Phys. Chem. B 114 2010 10022 10031
- (2010) Phys. Chem. B , vol.114 , pp. 10022-10031
- Greaves, T.L.¹ Kennedy, D.F.² Mudie, S.T.³ Drummond, C.J.J.⁴

70
- 36849018333
- W. Zhao, H. Eslami, and W.L.C. Florian Müller-Plathe Z. Phys. Chem. 221 2007 1647 1662
- (2007) Z. Phys. Chem. , vol.221 , pp. 1647-1662
- Zhao, W.¹ Eslami, H.² Florian Müller-Plathe, W.L.C.³

71
- 0000639673
- C. Ehrhardt, and R. Ahlrichs Theor. Chim. Acta 68 1985 231 245
- (1985) Theor. Chim. Acta , vol.68 , pp. 231-245
- Ehrhardt, C.¹ Ahlrichs, R.²

72
- 36148995600
- A.E. Reed, R.B. Weinstock, and F.J. Weinhold Chem. Phys. 83 1985 735 746
- (1985) Chem. Phys. , vol.83 , pp. 735-746
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.J.³

73
- 84870774751
- A.S. Pensado, F. Malberg, M.C. Gomes, A.A. Pádua, J. Fernández, B. Kirchner, and J. Phys Chem. B 116 2012 14159 14170
- (2012) Chem. B , vol.116 , pp. 14159-14170
- Pensado, A.S.¹ Malberg, F.² Gomes, M.C.³ Pádua, A.A.⁴ Fernández, J.⁵ Kirchner, B.⁶ Phys, J.⁷

74
- 33751561938
- D.N. Futaba, K. Hata, T. Yamada, T. Hiraoka, Y. Hayamizu, Y. Kakudate, O. Tanaike, H. Hatori, M. Yumura, and S. Iijima Nat. Mater. 5 2006 987 994
- (2006) Nat. Mater. , vol.5 , pp. 987-994
- Futaba, D.N.¹ Hata, K.² Yamada, T.³ Hiraoka, T.⁴ Hayamizu, Y.⁵ Kakudate, Y.⁶ Tanaike, O.⁷ Hatori, H.⁸ Yumura, M.⁹ Iijima, S.¹⁰

75
- 56149113622
- M.D. Stoller, S. Park, Y. Zhu, J. An, and R.S. Ruoff Nano Lett. 8 2008 3498 3502
- (2008) Nano Lett. , vol.8 , pp. 3498-3502
- Stoller, M.D.¹ Park, S.² Zhu, Y.³ An, J.⁴ Ruoff, R.S.⁵

76
- 68649108435
- D.-W. Wang, F. Li, J. Zhao, W. Ren, Z.-G. Chen, J. Tan, Z.-S. Wu, I. Gentle, G.Q. Lu, and H.-M. Cheng ACS Nano 3 2009 1745 1752
- (2009) ACS Nano , vol.3 , pp. 1745-1752
- Wang, D.-W.¹ Li, F.² Zhao, J.³ Ren, W.⁴ Chen, Z.-G.⁵ Tan, J.⁶ Wu, Z.-S.⁷ Gentle, I.⁸ Lu, G.Q.⁹ Cheng, H.-M.¹⁰

77
- 68349109573
- Y. Wang, Z. Shi, Y. Huang, Y. Ma, C. Wang, M. Chen, and Y.J. Chen Phys. Chem. C 113 2009 13103 13107
- (2009) Phys. Chem. C , vol.113 , pp. 13103-13107
- Wang, Y.¹ Shi, Z.² Huang, Y.³ Ma, Y.⁴ Wang, C.⁵ Chen, M.⁶ Chen, Y.J.⁷

78
- 79959504796
- Y. Zhu et al. Science 332 2011 1537 1541
- (2011) Science , vol.332 , pp. 1537-1541
- Zhu, Y.¹

79
- 84858331964
- M.F. El-Kady, V. Strong, S. Dubin, and R.B. Kaner Science 335 2012 1326 1330
- (2012) Science , vol.335 , pp. 1326-1330
- El-Kady, M.F.¹ Strong, V.² Dubin, S.³ Kaner, R.B.⁴

80
- 10644250257
- P. Hohenberg, and W. Kohn Phys. Rev. B 136 1964 864 871
- (1964) Phys. Rev. B , vol.136 , pp. 864-871
- Hohenberg, P.¹ Kohn, W.²

81
- 0042113153
- W. Kohn, and L.J. Sham Phys. Rev. A 140 1965 1133 1138
- (1965) Phys. Rev. A , vol.140 , pp. 1133-1138
- Kohn, W.¹ Sham, L.J.²

82
- 65249094909
- N. Akai, D. Parazs, A. Kawai, and K.J. Shibuya Phys. Chem. B 113 2009 4756 4762
- (2009) Phys. Chem. B , vol.113 , pp. 4756-4762
- Akai, N.¹ Parazs, D.² Kawai, A.³ Shibuya, K.J.⁴

83
- 37549004997
- S. Kristyán, and P. Pulay Chem. Phys. Lett. 229 1994 175 180
- (1994) Chem. Phys. Lett. , vol.229 , pp. 175-180
- Kristyán, S.¹ Pulay, P.²

84
- 4243476736
- J.M. Pérez-Jordá, and A.D. Becke Chem. Phys. Lett. 233 1995 134 137
- (1995) Chem. Phys. Lett. , vol.233 , pp. 134-137
- Pérez-Jordá, J.M.¹ Becke, A.D.²

85
- 10844235866
- E.J. Meijer, and M.J. Sprik Chem. Phys. 105 1996 8684 8689
- (1996) Chem. Phys. , vol.105 , pp. 8684-8689
- Meijer, E.J.¹ Sprik, M.J.²

86
- 0035281210
- S. Tsuzuki, and H.P.J. Lüthi Chem. Phys. 114 2001 3949 3957
- (2001) Chem. Phys. , vol.114 , pp. 3949-3957
- Tsuzuki, S.¹ Lüthi, H.P.J.²

87
- 4143129098
- E.R. Johnson, R.A. Wolkow, and G.A. DiLabio Chem. Phys. Lett. 394 2004 334 338
- (2004) Chem. Phys. Lett. , vol.394 , pp. 334-338
- Johnson, E.R.¹ Wolkow, R.A.² Dilabio, G.A.³

88
- 77949738108
- C.D. Sherrill J. Chem. Phys. 132 2010 110902
- (2010) J. Chem. Phys. , vol.132 , pp. 110902
- Sherrill, C.D.¹

89
- 29344470489
- B. Bhargava, and S. Balasubramanian Chem. Phys. Lett. 417 2006 486 491
- (2006) Chem. Phys. Lett. , vol.417 , pp. 486-491
- Bhargava, B.¹ Balasubramanian, S.²

90
- 33746915678
- N. Micaelo, A. Baptista, and C.J. Soares Phys. Chem. B 110 2006 14444 14451
- (2006) Phys. Chem. B , vol.110 , pp. 14444-14451
- Micaelo, N.¹ Baptista, A.² Soares, C.J.³

91
- 39849098922
- B. Qiao, C. Krekeler, R. Berger, L. Delle Site, and C.J. Holm Phys. Chem. B 112 2008 1743 1751
- (2008) Phys. Chem. B , vol.112 , pp. 1743-1751
- Qiao, B.¹ Krekeler, C.² Berger, R.³ Delle Site, L.⁴ Holm, C.J.⁵

92
- 41449116391
- H. Li, J.A. Boatz, and M.S.J. Gordon Am. Chem. Soc. 130 2008 392 393
- (2008) Am. Chem. Soc. , vol.130 , pp. 392-393
- Li, H.¹ Boatz, J.A.² Gordon, M.S.J.³

93
- 52349121491
- S. Zahn, and B.J. Kirchner Phys. Chem. A 112 2008 8430 8435
- (2008) Phys. Chem. A , vol.112 , pp. 8430-8435
- Zahn, S.¹ Kirchner, B.J.²

94
- 84858677131
- S. Grimme, W. Hujo, and B. Kirchner Phys. Chem. Chem. Phys. 14 2012 4875 4883
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 4875-4883
- Grimme, S.¹ Hujo, W.² Kirchner, B.³

95
- 84861078342
- A.S. Pensado, M. Brehm, J. Thar, A.P. Seitsonen, and B. Kirchner Chemphyschem 13 2012 1845 1853
- (2012) Chemphyschem , vol.13 , pp. 1845-1853
- Pensado, A.S.¹ Brehm, M.² Thar, J.³ Seitsonen, A.P.⁴ Kirchner, B.⁵

96
- 80053943664
- K. Wendler, S. Zahn, F. Dommert, R. Berger, C. Holm, B. Kirchner, and L.J. Delle Site Chem. Theory Comput. 7 2011 3040 3044
- (2011) Chem. Theory Comput. , vol.7 , pp. 3040-3044
- Wendler, K.¹ Zahn, S.² Dommert, F.³ Berger, R.⁴ Holm, C.⁵ Kirchner, B.⁶ Delle Site, L.J.⁷

97
- 82455174357
- K. Wendler, F. Dommert, Y.Y. Zhao, R. Berger, C. Holm, and L.D. Site Faraday Discuss. 154 2012 111 132
- (2012) Faraday Discuss. , vol.154 , pp. 111-132
- Wendler, K.¹ Dommert, F.² Zhao, Y.Y.³ Berger, R.⁴ Holm, C.⁵ Site, L.D.⁶

98
- 84860779365
- K. Wendler, M. Brehm, F. Malberg, B. Kirchner, and L.J. Delle Site Chem. Theory Comput. 8 2012 1570 1579
- (2012) Chem. Theory Comput. , vol.8 , pp. 1570-1579
- Wendler, K.¹ Brehm, M.² Malberg, F.³ Kirchner, B.⁴ Delle Site, L.J.⁵

99
- 84866432563
- M. Brüssel, M. Brehm, A.S. Pensado, F. Malberg, M. Ramzan, A. Stark, and B. Kirchner Phys. Chem. Chem. Phys. 14 2012 13204 13215
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 13204-13215
- Brüssel, M.¹ Brehm, M.² Pensado, A.S.³ Malberg, F.⁴ Ramzan, M.⁵ Stark, A.⁶ Kirchner, B.⁷

100
- 84865206639
- F. Malberg, A.S. Pensado, and B. Kirchner Phys. Chem. Chem. Phys. 14 2012 12079 12082
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 12079-12082
- Malberg, F.¹ Pensado, A.S.² Kirchner, B.³

101
- 84870774751
- X. Paredes, J. Fernández, A.A.H. Pádua, P. Malfreyt, F. Malberg, B. Kirchner, and A.S.J. Pensado Phys. Chem. B 116 2012 14159 14170
- (2012) Phys. Chem. B , vol.116 , pp. 14159-14170
- Paredes, X.¹ Fernández, J.² Pádua, A.A.H.³ Malfreyt, P.⁴ Malberg, F.⁵ Kirchner, B.⁶ Pensado, A.S.J.⁷

102
- 2342426237
- T. Iimori, T. Iwahashi, H. Ishii, K. Seki, Y. Ouchi, R. Ozawa, Hiro-o Hamaguchi, and D. Kim Chem. Phys. Lett. 389 2004 321 326
- (2004) Chem. Phys. Lett. , vol.389 , pp. 321-326
- Iimori, T.¹ Iwahashi, T.² Ishii, H.³ Seki, K.⁴ Ouchi, Y.⁵ Ozawa, R.⁶ Hamaguchi, H.-O.⁷ Kim, D.⁸

103
- 19744369146
- E. Sloutskin, E. Solutskin, B.M. Ocko, L. Tamam, L. Taman, I. Kuzmenko, T. Gog, and M.J. Deutsch Am. Chem. Soc. 127 2005 7796 7804
- (2005) Am. Chem. Soc. , vol.127 , pp. 7796-7804
- Sloutskin, E.¹ Solutskin, E.² Ocko, B.M.³ Tamam, L.⁴ Taman, L.⁵ Kuzmenko, I.⁶ Gog, T.⁷ Deutsch, M.J.⁸

104
- 33144488647
- R.M. Lynden-Bell, and M. Del Pópolo Phys. Chem. Chem. Phys. 8 2006 949 954
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 949-954
- Lynden-Bell, R.M.¹ Del Pópolo, M.²

105
- 33746872929
- B.L. Bhargava, and S.J. Balasubramanian Am. Chem. Soc. 128 2006 10073 10078
- (2006) Am. Chem. Soc. , vol.128 , pp. 10073-10078
- Bhargava, B.L.¹ Balasubramanian, S.J.²

106
- 32544436295
- T. Yan, S. Li, W. Jiang, X. Gao, B. Xiang, and G.A.J. Voth Phys. Chem. B 110 2006 1800 1806
- (2006) Phys. Chem. B , vol.110 , pp. 1800-1806
- Yan, T.¹ Li, S.² Jiang, W.³ Gao, X.⁴ Xiang, B.⁵ Voth, G.A.J.⁶

107
- 72449173883
- A.S. Pensado, P. Malfreyt, and A.A.H.J. Pádua Phys. Chem. B 113 2009 14708 14718
- (2009) Phys. Chem. B , vol.113 , pp. 14708-14718
- Pensado, A.S.¹ Malfreyt, P.² Pádua, A.A.H.J.³

108
- 77956552340
- M.E. Perez-Blanco, and E.J.J. Maginn Phys. Chem. B 114 2010 11827 11837
- (2010) Phys. Chem. B , vol.114 , pp. 11827-11837
- Perez-Blanco, M.E.¹ Maginn, E.J.J.²

109
- 79551636317
- S.S. Sarangi, S.G. Raju, and S. Balasubramanian Phys. Chem. Chem. Phys. 13 2011 2714 2722
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 2714-2722
- Sarangi, S.S.¹ Raju, S.G.² Balasubramanian, S.³

110
- 79960941549
- A.S. Pensado, M.F. Costa Gomes, J.N. Canongia Lopes, P. Malfreyt, and A.A.H. Pádua Phys. Chem. Chem. Phys. 13 2011 13518 13526
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 13518-13526
- Pensado, A.S.¹ Costa Gomes, M.F.² Canongia Lopes, J.N.³ Malfreyt, P.⁴ Pádua, A.A.H.⁵

111
- 51749095028
- 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 2008 104505
- (2008) J. Chem. Phys. , vol.129 , pp. 104505
- Spickermann, C.¹ Thar, J.² Lehmann, S.B.C.³ Zahn, S.⁴ Hunger, J.⁵ Buchner, R.⁶ Hunt, P.A.⁷ Welton, T.⁸ Kirchner, B.⁹

112
- 84858963753
- M. Brehm, H. Weber, A.S. Pensado, A. Stark, and B. Kirchner Phys. Chem. Chem. Phys. 14 2012 5030 5044
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 5030-5044
- Brehm, M.¹ Weber, H.² Pensado, A.S.³ Stark, A.⁴ Kirchner, B.⁵

113
- 84874718563
- M. Brehm, H. Weber, A.S. Pensado, A. Stark, and B. Kirchner Z. Phys. Chem. 227 2013 177 203
- (2013) Z. Phys. Chem. , vol.227 , pp. 177-203
- Brehm, M.¹ Weber, H.² Pensado, A.S.³ Stark, A.⁴ Kirchner, B.⁵

114
- 0035669246
- L. Cammarata, S.G. Kazarian, P.A. Salter, and T. Welton Phys. Chem. Chem. Phys. 3 2001 5192 5200
- (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 5192-5200
- Cammarata, L.¹ Kazarian, S.G.² Salter, P.A.³ Welton, T.⁴

115
- 57249085579
- C.G. Hanke, N.A. Atamas, and R.M. Lynden-Bell Green Chem. 4 2002 107 111
- (2002) Green Chem. , vol.4 , pp. 107-111
- Hanke, C.G.¹ Atamas, N.A.² Lynden-Bell, R.M.³

116
- 37549045008
- C. Schröder, T. Rudas, G. Neumayr, S. Benkner, and O. Steinhauser J. Chem. Phys. 127 2007 234503
- (2007) J. Chem. Phys. , vol.127 , pp. 234503
- Schröder, C.¹ Rudas, T.² Neumayr, G.³ Benkner, S.⁴ Steinhauser, O.⁵

117
- 57949100107
- M.S. Kelkar, W. Shi, and E.J. Maginn Ind. Eng. Chem. Res. 47 2008 9115 9126
- (2008) Ind. Eng. Chem. Res. , vol.47 , pp. 9115-9126
- Kelkar, M.S.¹ Shi, W.² Maginn, E.J.³

118
- 80051769885
- S. Zahn, K. Wendler, L. Delle Site, and B. Kirchner Phys. Chem. Chem. Phys. 13 2011 15083 15093
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 15083-15093
- Zahn, S.¹ Wendler, K.² Delle Site, L.³ Kirchner, B.⁴

119
- 78650398739
- J.F. Brennecke, and B.E.J. Gurkan Phys. Chem. Lett. 1 2010 3459 3464
- (2010) Phys. Chem. Lett. , vol.1 , pp. 3459-3464
- Brennecke, J.F.¹ Gurkan, B.E.J.²

120
- 84873812847
- O. Hollóczki, Z. Kelemen, L. Könczöl, D. Szieberth, L. Nyulászi, A. Stark, and B. Kirchner Chem. Phys. Chem. 14 2013 315 320
- (2013) Chem. Phys. Chem. , vol.14 , pp. 315-320
- Hollóczki, O.¹ Kelemen, Z.² Könczöl, L.³ Szieberth, D.⁴ Nyulászi, L.⁵ Stark, A.⁶ Kirchner, B.⁷

121
- 84878026833
- O. Hollóczki, D.S. Firaha, J. Friedrich, M. Brehm, R. Cybik, M. Wild, A. Stark, and B. Kirchner J. Phys. Chem. B. 117 19 2013 5898 5907
- (2013) J. Phys. Chem. B. , vol.117 , Issue.19 , pp. 5898-5907
- Hollóczki, O.¹ Firaha, D.S.² Friedrich, J.³ Brehm, M.⁴ Cybik, R.⁵ Wild, M.⁶ Stark, A.⁷ Kirchner, B.⁸

122
- 83455176759
- G. Gurau, H. Rodríguez, S.P. Kelley, P. Janiczek, R.S. Kalb, and R.D. Rogers Angew. Chem. Int. Ed. 50 2011 12024 12026
- (2011) Angew. Chem. Int. Ed. , vol.50 , pp. 12024-12026
- Gurau, G.¹ Rodríguez, H.² Kelley, S.P.³ Janiczek, P.⁴ Kalb, R.S.⁵ Rogers, R.D.⁶

123
- 84855575392
- M. Besnard, M.I. Cabaço, F.V. Chávez, N. Pinaud, P.J.S. ao, A.P. ao, J. Coutinho, and Y. Danten Chem. Commun. 48 2012 1245 1247
- (2012) Chem. Commun. , vol.48 , pp. 1245-1247
- Besnard, M.¹ Cabaço, M.I.² Chávez, F.V.³ Pinaud, N.⁴ Ao, P.J.S.⁵ Ao, A.P.⁶ Coutinho, J.⁷ Danten, Y.⁸

124
- 84857300782
- M.I. Cabaço, M. Besnard, Y. Danten, and J.A.P.J. Coutinho Phys. Chem. A 116 2012 1605 1620
- (2012) Phys. Chem. A , vol.116 , pp. 1605-1620
- Cabaço, M.I.¹ Besnard, M.² Danten, Y.³ Coutinho, J.A.P.J.⁴

125
- 80051994561
- M. Brehm, and B.J. Kirchner Chem. Inf. Model. 51 2011 2007 2023
- (2011) Chem. Inf. Model. , vol.51 , pp. 2007-2023
- Brehm, M.¹ Kirchner, B.J.²

126
- 84861049974
- C. Mrestani-Klaus, A. Richardt, C. Wespe, A. Stark, E. Humpfer, and F. Bordusa Chemphyschem 13 2012 1836 1844
- (2012) Chemphyschem , vol.13 , pp. 1836-1844
- Mrestani-Klaus, C.¹ Richardt, A.² Wespe, C.³ Stark, A.⁴ Humpfer, E.⁵ Bordusa, F.⁶

127
- 0037042296
- R.P. Swatloski, S.K. Spear, J.D. Holbrey, and R.D.J. Rogers Am. Chem. Soc. 124 2002 4974 4975
- (2002) Am. Chem. Soc. , vol.124 , pp. 4974-4975
- Swatloski, R.P.¹ Spear, S.K.² Holbrey, J.D.³ Rogers, R.D.J.⁴

128
- 33645450745
- S. Zhu, Y. Wu, Q. Chen, Z. Yu, C. Wang, S. Jin, Y. Ding, and G. Wu Green Chem. 8 2006 325 327
- (2006) Green Chem. , vol.8 , pp. 325-327
- Zhu, S.¹ Wu, Y.² Chen, Q.³ Yu, Z.⁴ Wang, C.⁵ Jin, S.⁶ Ding, Y.⁷ Wu, G.⁸

129
- 75849124608
- A. Pinkert, K.N. Marsh, S. Pang, and M.P. Staiger Chem. Rev. 109 2009 6712 6728
- (2009) Chem. Rev. , vol.109 , pp. 6712-6728
- Pinkert, A.¹ Marsh, K.N.² Pang, S.³ Staiger, M.P.⁴

130
- 79960947382
- M. Brüssel, M. Brehm, T. Voigt, and B. Kirchner Phys. Chem. Chem. Phys. 13 2011 13617 13620
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 13617-13620
- Brüssel, M.¹ Brehm, M.² Voigt, T.³ Kirchner, B.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.