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Volumn 4, Issue 1, 2013, Pages 105-110

Anions, the reporters of structure in ionic liquids

Author keywords

[No Author keywords available]

Indexed keywords

AMPHIPHILICS; FORM FACTORS; INTERFERENCE CANCELLATION; LENGTH SCALE; STRUCTURAL FEATURE; STRUCTURAL LANDSCAPES; STRUCTURE FUNCTIONS; WIDE ANGLE X-RAY SCATTERING;

EID: 84872180646     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz301866f     Document Type: Article
Times cited : (122)

References (65)
  • 2
    • 78649495652 scopus 로고    scopus 로고
    • Nanostructure of Trialkylmethylammonium Bistriflamide Ionic Liquids Studied by Molecular Dynamics
    • Shimizu, K.; Padua, A. A. H.; Canongia Lopes, J. N. A. Nanostructure of Trialkylmethylammonium Bistriflamide Ionic Liquids Studied by Molecular Dynamics J. Phys. Chem. B 2010, 114, 15635
    • (2010) J. Phys. Chem. B , vol.114 , pp. 15635
    • Shimizu, K.1    Padua, A.A.H.2    Canongia Lopes, J.N.A.3
  • 3
    • 29344470489 scopus 로고    scopus 로고
    • Intermolecular Structure and Dynamics in an Ionic Liquid: A Car-Parrinello Molecular Dynamics Simulation Study of 1,3-Dimethylimidazolium Chloride
    • Bhargava, B. L.; Balasubramanian, S. Intermolecular Structure and Dynamics in an Ionic Liquid: A Car-Parrinello Molecular Dynamics Simulation Study of 1,3-Dimethylimidazolium Chloride Chem. Phys. Lett. 2006, 417, 486
    • (2006) Chem. Phys. Lett. , vol.417 , pp. 486
    • Bhargava, B.L.1    Balasubramanian, S.2
  • 4
    • 35348871846 scopus 로고    scopus 로고
    • Nanoscale Organization in Room Temperature Ionic Liquids: A Coarse Grained Molecular Dynamics Simulation Study
    • Bhargava, B. L.; Devane, R.; Klein, M. L.; Balasubramanian, S. Nanoscale Organization in Room Temperature Ionic Liquids: A Coarse Grained Molecular Dynamics Simulation Study Soft Matter 2007, 3, 1395
    • (2007) Soft Matter , vol.3 , pp. 1395
    • Bhargava, B.L.1    Devane, R.2    Klein, M.L.3    Balasubramanian, S.4
  • 5
    • 49149090699 scopus 로고    scopus 로고
    • Liquid Structure of the Ionic Liquid, 1-Methyl-4-cyanopyridinium Bis{(trifluoromethyl)sulfonyl}imide Determined from Neutron Scattering and Molecular Dynamics Simulations
    • Hardacre, C.; Holbrey, J. D.; Mullan, C. L.; Nieuwenhuyzen, M.; Youngs, T. G. A.; Bowron, D. T. Liquid Structure of the Ionic Liquid, 1-Methyl-4-cyanopyridinium Bis{(trifluoromethyl)sulfonyl}imide Determined from Neutron Scattering and Molecular Dynamics Simulations J. Phys. Chem. B 2008, 112, 8049
    • (2008) J. Phys. Chem. B , vol.112 , pp. 8049
    • Hardacre, C.1    Holbrey, J.D.2    Mullan, C.L.3    Nieuwenhuyzen, M.4    Youngs, T.G.A.5    Bowron, D.T.6
  • 7
    • 84857530257 scopus 로고    scopus 로고
    • The Structure of Liquid N -Methyl Pyrrolidone Probed by X-ray Scattering and Molecular Simulations
    • Gontrani, L.; Caminiti, R. The Structure of Liquid N -Methyl Pyrrolidone Probed by X-ray Scattering and Molecular Simulations J. Chem. Phys. 2012, 136, 74505
    • (2012) J. Chem. Phys. , vol.136 , pp. 74505
    • Gontrani, L.1    Caminiti, R.2
  • 9
    • 79951789754 scopus 로고    scopus 로고
    • Temperature-Dependent Structure of Methyltributylammonium Bis(trifluoromethylsulfonyl)amide: X-ray Scattering and Simulations
    • Santos, C. S.; Annapureddy, H. V. R.; Murthy, N. S.; Kashyap, H. K.; Castner, E. W., Jr.; Margulis, C. J. Temperature-Dependent Structure of Methyltributylammonium Bis(trifluoromethylsulfonyl)amide: X-ray Scattering and Simulations J. Chem. Phys. 2011, 134, 064501
    • (2011) J. Chem. Phys. , vol.134 , pp. 064501
    • Santos, C.S.1    Annapureddy, H.V.R.2    Murthy, N.S.3    Kashyap, H.K.4    Castner Jr., E.W.5    Margulis, C.J.6
  • 10
    • 34547139800 scopus 로고    scopus 로고
    • Molecular Dynamics Simulation of Polymer Electrolytes Based on Poly(ethylene oxide) and Ionic Liquids. I. Structural Properties
    • Costa, L. T.; Ribeiro, M. C. C. Molecular Dynamics Simulation of Polymer Electrolytes Based on Poly(ethylene oxide) and Ionic Liquids. I. Structural Properties J. Chem. Phys. 2006, 124, 184902
    • (2006) J. Chem. Phys. , vol.124 , pp. 184902
    • Costa, L.T.1    Ribeiro, M.C.C.2
  • 11
    • 33745713390 scopus 로고    scopus 로고
    • Structure and Dynamics of N -Methyl-N -propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide Ionic Liquid from Molecular Dynamics Simulations
    • Borodin, O.; Smith, G. D. Structure and Dynamics of N -Methyl-N -propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide Ionic Liquid from Molecular Dynamics Simulations J. Phys. Chem. B 2006, 110, 11481
    • (2006) J. Phys. Chem. B , vol.110 , pp. 11481
    • Borodin, O.1    Smith, G.D.2
  • 13
    • 79953179356 scopus 로고    scopus 로고
    • Liquid Structure of 1-Alkyl-3-methylimidazolium-hexafluorophosphates by Wide Angle X-ray and Neutron Scattering and Molecular Dynamics
    • Macchiagodena, M.; Gontrani, L.; Ramondo, F.; Triolo, A.; Caminiti, R. Liquid Structure of 1-Alkyl-3-methylimidazolium-hexafluorophosphates by Wide Angle X-ray and Neutron Scattering and Molecular Dynamics J. Chem. Phys. 2011, 134, 114521
    • (2011) J. Chem. Phys. , vol.134 , pp. 114521
    • MacChiagodena, M.1    Gontrani, L.2    Ramondo, F.3    Triolo, A.4    Caminiti, R.5
  • 16
    • 0037085198 scopus 로고    scopus 로고
    • Influence of Structural Variations in 1-Alkyl(aralkyl)-3- methylimidazolium Hexafluorophosphates and Bis(trifluoromethylsulfonyl)imides on Physical Properties of the Ionic Liquids
    • Dzyuba, S. V.; Bartsch, R. A. Influence of Structural Variations in 1-Alkyl(aralkyl)-3-methylimidazolium Hexafluorophosphates and Bis(trifluoromethylsulfonyl)imides on Physical Properties of the Ionic Liquids ChemPhysChem 2002, 3, 161
    • (2002) ChemPhysChem , vol.3 , pp. 161
    • Dzyuba, S.V.1    Bartsch, R.A.2
  • 17
    • 57249104607 scopus 로고    scopus 로고
    • 1-n -Butyl-3-methylimidazolium ([bmim]) Octylsulfate -An even "greener" Ionic Liquid
    • Wasserscheid, P.; Hal, R. v.; Bosmann, A. 1-n -Butyl-3-methylimidazolium ([bmim]) Octylsulfate-An Even "Greener" Ionic Liquid Green Chem. 2002, 4, 400
    • (2002) Green Chem. , vol.4 , pp. 400
    • Wasserscheid, P.1    Hal, R.V.2    Bosmann, A.3
  • 19
    • 77951896609 scopus 로고    scopus 로고
    • Physico-Chemical Properties and Phase Behaviour of Pyrrolidinium-Based Ionic Liquids
    • Domanska, U. Physico-Chemical Properties and Phase Behaviour of Pyrrolidinium-Based Ionic Liquids Int. J. Mol. Sci. 2010, 11, 1825
    • (2010) Int. J. Mol. Sci. , vol.11 , pp. 1825
    • Domanska, U.1
  • 20
    • 0032465986 scopus 로고    scopus 로고
    • Synthesis and Physical-Chemical Properties of Ionic Liquids Based on 1-n -Butyl-3-methylimidazolium cation
    • Suarez, P. A. Z.; Einloft, S.; Dullius, J. E. L.; de Souza, R. F.; Dupont, J. Synthesis and Physical-Chemical Properties of Ionic Liquids Based on 1-n -Butyl-3-methylimidazolium cation J. Chim. Phys. 1998, 95, 1626
    • (1998) J. Chim. Phys. , vol.95 , pp. 1626
    • Suarez, P.A.Z.1    Einloft, S.2    Dullius, J.E.L.3    De Souza, R.F.4    Dupont, J.5
  • 21
    • 0000034575 scopus 로고    scopus 로고
    • Ionic Liquids -New "solutions" for Transition Metal Catalysis
    • Wasserscheid, P.; Keim, W. Ionic Liquids-New "Solutions" for Transition Metal Catalysis Angew. Chem., Int. Ed. 2000, 39, 3772
    • (2000) Angew. Chem., Int. Ed. , vol.39 , pp. 3772
    • Wasserscheid, P.1    Keim, W.2
  • 22
  • 23
    • 33744484005 scopus 로고    scopus 로고
    • Effect of Tetrabutylphosphonium Cation on the Physico-Chemical Properties of Amino-Acid Ionic Liquids
    • Kagimoto, J.; Fukumoto, K.; Ohno, H. Effect of Tetrabutylphosphonium Cation on the Physico-Chemical Properties of Amino-Acid Ionic Liquids Chem. Commun. 2006, 21, 2254
    • (2006) Chem. Commun. , vol.21 , pp. 2254
    • Kagimoto, J.1    Fukumoto, K.2    Ohno, H.3
  • 24
    • 33645458303 scopus 로고    scopus 로고
    • Density and Viscosity of Several Pure and Water-Saturated Ionic Liquids
    • Jacquemin, J.; Husson, P.; Padua, A. A. H.; Majer, V. Density and Viscosity of Several Pure and Water-Saturated Ionic Liquids Green Chem. 2006, 8, 172
    • (2006) Green Chem. , vol.8 , pp. 172
    • Jacquemin, J.1    Husson, P.2    Padua, A.A.H.3    Majer, V.4
  • 26
    • 18844402446 scopus 로고    scopus 로고
    • The Effect of the Anion on the Physical Properties of Trihalide-Based N, N -Dialkylimidazolium Ionic Liquids
    • Bagno, A.; Butts, C.; Chiappe, C.; D'Amico, F.; Lord, J. C. D.; Pieraccini, D.; Rastrelli, F. The Effect of the Anion on the Physical Properties of Trihalide-Based N, N -Dialkylimidazolium Ionic Liquids Org. Biomol. Chem. 2005, 3, 1624
    • (2005) Org. Biomol. Chem. , vol.3 , pp. 1624
    • Bagno, A.1    Butts, C.2    Chiappe, C.3    D'Amico, F.4    Lord, J.C.D.5    Pieraccini, D.6    Rastrelli, F.7
  • 27
    • 33644766490 scopus 로고    scopus 로고
    • Characterization and Comparison of Hydrophilic and Hydrophobic Room Temperature Ionic Liquids Incorporating the Imidazolium Cation
    • Huddleston, J. G.; Visser, A. E.; Reichert, W. M.; Willauer, H. D.; Broker, G. A.; Rogers, R. D. Characterization and Comparison of Hydrophilic and Hydrophobic Room Temperature Ionic Liquids Incorporating the Imidazolium Cation Green Chem. 2001, 3, 156
    • (2001) Green Chem. , vol.3 , pp. 156
    • Huddleston, J.G.1    Visser, A.E.2    Reichert, W.M.3    Willauer, H.D.4    Broker, G.A.5    Rogers, R.D.6
  • 28
    • 7544241270 scopus 로고    scopus 로고
    • Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 1. Variation of Anionic Species
    • Tokuda, H.; Hayamizu, K.; Ishii, K.; Susan, M. A. B. H.; Watanabe, M. Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 1. Variation of Anionic Species J. Phys. Chem. B 2004, 108, 16593
    • (2004) J. Phys. Chem. B , vol.108 , pp. 16593
    • Tokuda, H.1    Hayamizu, K.2    Ishii, K.3    Susan, M.A.B.H.4    Watanabe, M.5
  • 31
    • 80055045849 scopus 로고    scopus 로고
    • A New Force Field Model of 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid and Acetonitrile Mixtures
    • Chaban, V. V.; Prezhdo, O. V. A New Force Field Model of 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid and Acetonitrile Mixtures Phys. Chem. Chem. Phys. 2011, 13, 19345
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 19345
    • Chaban, V.V.1    Prezhdo, O.V.2
  • 33
    • 79956044480 scopus 로고    scopus 로고
    • A New Force Field Model for the Simulation of Transport Properties of Imidazolium-Based Ionic Liquids
    • Chaban, V. V.; Voroshylova, I. V.; Kalugin, O. N. A New Force Field Model for the Simulation of Transport Properties of Imidazolium-Based Ionic Liquids Phys. Chem. Chem. Phys. 2011, 13, 7910
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 7910
    • Chaban, V.V.1    Voroshylova, I.V.2    Kalugin, O.N.3
  • 34
    • 84872193684 scopus 로고    scopus 로고
    • Theoretical Deconstruction of the X-ray Structure Function Exposes Polarity Alternations in Room Temperature Ionic Liquids
    • Kashyap, H. K.; Margulis, C. J. Theoretical Deconstruction of the X-ray Structure Function Exposes Polarity Alternations in Room Temperature Ionic Liquids ECS Trans. 2012, 50, 301
    • (2012) ECS Trans. , vol.50 , pp. 301
    • Kashyap, H.K.1    Margulis, C.J.2
  • 35
    • 79551649066 scopus 로고    scopus 로고
    • Role of Cation Symmetry in Intermolecular Structure and Dynamics of Room Temperature Ionic Liquids: Simulation Studies
    • Raju, S. G.; Balasubramanian, S. Role of Cation Symmetry in Intermolecular Structure and Dynamics of Room Temperature Ionic Liquids: Simulation Studies J. Phys. Chem. B 2010, 114, 6455
    • (2010) J. Phys. Chem. B , vol.114 , pp. 6455
    • Raju, S.G.1    Balasubramanian, S.2
  • 36
    • 84855461898 scopus 로고    scopus 로고
    • Mesoscopic Structural Heterogeneities in Room-Temperature Ionic Liquids
    • Russina, O.; Triolo, A.; Gontrani, L.; Caminiti, R. Mesoscopic Structural Heterogeneities in Room-Temperature Ionic Liquids J. Phys. Chem. Lett. 2012, 3, 27
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 27
    • Russina, O.1    Triolo, A.2    Gontrani, L.3    Caminiti, R.4
  • 37
  • 38
    • 43749102046 scopus 로고    scopus 로고
    • Morphology of 1-Alkyl-3-methylimidazolium Hexafluorophosphate Room Temperature Ionic Liquids
    • Triolo, A.; Russina, O.; Fazio, B.; Triolo, R.; Di Cola, E. Morphology of 1-Alkyl-3-methylimidazolium Hexafluorophosphate Room Temperature Ionic Liquids Chem. Phys. Lett. 2008, 457, 362
    • (2008) Chem. Phys. Lett. , vol.457 , pp. 362
    • Triolo, A.1    Russina, O.2    Fazio, B.3    Triolo, R.4    Di Cola, E.5
  • 39
  • 42
    • 33644902649 scopus 로고    scopus 로고
    • Microscopic Structure and Solvation in Dry and Wet Octanol
    • Chen, B.; Siepmann, J. I. Microscopic Structure and Solvation in Dry and Wet Octanol J. Phys. Chem. B 2006, 110, 3555
    • (2006) J. Phys. Chem. B , vol.110 , pp. 3555
    • Chen, B.1    Siepmann, J.I.2
  • 43
    • 82455206259 scopus 로고    scopus 로고
    • New Experimental Evidence Supporting the Mesoscopic Segregation Model in Room Temperature Ionic Liquids
    • Russina, O.; Triolo, A. New Experimental Evidence Supporting the Mesoscopic Segregation Model in Room Temperature Ionic Liquids Faraday Discuss. 2012, 154, 97
    • (2012) Faraday Discuss. , vol.154 , pp. 97
    • Russina, O.1    Triolo, A.2
  • 44
    • 24644486893 scopus 로고    scopus 로고
    • Unique Spatial Heterogeneity in Ionic Liquids
    • Wang, Y.; Voth, G. A. Unique Spatial Heterogeneity in Ionic Liquids J. Am. Chem. Soc. 2005, 127, 12192
    • (2005) J. Am. Chem. Soc. , vol.127 , pp. 12192
    • Wang, Y.1    Voth, G.A.2
  • 45
    • 33749618633 scopus 로고    scopus 로고
    • Tail Aggregation and Domain Diffusion in Ionic Liquids
    • Wang, Y.; Voth, G. A. Tail Aggregation and Domain Diffusion in Ionic Liquids J. Phys. Chem. B 2006, 110, 18601
    • (2006) J. Phys. Chem. B , vol.110 , pp. 18601
    • Wang, Y.1    Voth, G.A.2
  • 46
    • 34249716260 scopus 로고    scopus 로고
    • Molecular Dynamics Simulation of Nanostructural Organization in Ionic Liquid/Water Mixtures
    • Jiang, W.; Wang, Y.; Voth, G. A. Molecular Dynamics Simulation of Nanostructural Organization in Ionic Liquid/Water Mixtures J. Phys. Chem. B 2007, 111, 4812
    • (2007) J. Phys. Chem. B , vol.111 , pp. 4812
    • Jiang, W.1    Wang, Y.2    Voth, G.A.3
  • 47
    • 37349025457 scopus 로고    scopus 로고
    • Understanding Ionic Liquids through Atomistic and Coarse-Grained Molecular Dynamics Simulations
    • Wang, Y.; Jiang, W.; Yan, T.; Voth, G. A. Understanding Ionic Liquids through Atomistic and Coarse-Grained Molecular Dynamics Simulations Acc. Chem. Res. 2007, 40, 1193
    • (2007) Acc. Chem. Res. , vol.40 , pp. 1193
    • Wang, Y.1    Jiang, W.2    Yan, T.3    Voth, G.A.4
  • 48
    • 84860378453 scopus 로고    scopus 로고
    • SAXS Anti-peaks Reveal the Length-Scales of Dual Positive-Negative and Polar-Apolar Ordering in Room-Temperature Ionic Liquids
    • Kashyap, H. K.; Hettige, J. J.; Annapureddy, H. V. R.; Margulis, C. J. SAXS Anti-peaks Reveal the Length-Scales of Dual Positive-Negative and Polar-Apolar Ordering in Room-Temperature Ionic Liquids Chem. Commun. 2012, 48, 5103
    • (2012) Chem. Commun. , vol.48 , pp. 5103
    • Kashyap, H.K.1    Hettige, J.J.2    Annapureddy, H.V.R.3    Margulis, C.J.4
  • 49
    • 78650370385 scopus 로고    scopus 로고
    • What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids?
    • Annapureddy, H. V. R.; Kashyap, H. K.; De Biase, P. M.; Margulis, C. J. What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids? J. Phys. Chem. B 2010, 114, 16838
    • (2010) J. Phys. Chem. B , vol.114 , pp. 16838
    • Annapureddy, H.V.R.1    Kashyap, H.K.2    De Biase, P.M.3    Margulis, C.J.4
  • 51
    • 67650072736 scopus 로고    scopus 로고
    • Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study
    • Gontrani, L.; Russina, O.; Celso, F. L.; Caminiti, R.; Annat, G.; Triolo, A. Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study J. Phys. Chem. B 2009, 113, 9235
    • (2009) J. Phys. Chem. B , vol.113 , pp. 9235
    • Gontrani, L.1    Russina, O.2    Celso, F.L.3    Caminiti, R.4    Annat, G.5    Triolo, A.6
  • 52
    • 78650099286 scopus 로고    scopus 로고
    • Structural Properties of 1-Alkyl-3-methylimidazolium Bis{(trifluoromethyl)sulfonyl}amide Ionic Liquids: X-ray Diffraction Data and Molecular Dynamics Simulations
    • Bodo, E.; Gontrani, L.; Caminiti, R.; Plechkova, N. V.; Seddon, K. R.; Triolo, A. Structural Properties of 1-Alkyl-3-methylimidazolium Bis{(trifluoromethyl)sulfonyl}amide Ionic Liquids: X-ray Diffraction Data and Molecular Dynamics Simulations J. Phys. Chem. B 2010, 114, 16398
    • (2010) J. Phys. Chem. B , vol.114 , pp. 16398
    • Bodo, E.1    Gontrani, L.2    Caminiti, R.3    Plechkova, N.V.4    Seddon, K.R.5    Triolo, A.6
  • 54
    • 84855471368 scopus 로고    scopus 로고
    • Alkyl Chain Length and Temperature Effects on Structural Properties of Pyrrolidinium-Based Ionic Liquids: A Combined Atomistic Simulation and Small-Angle X-ray Scattering Study
    • Li, S.; Banuelos, J. L.; Guo, J.; Anovitz, L.; Rother, G.; Shaw, R. W.; Hillesheim, P. C.; Dai, S.; Baker, G. A.; Cummings, P. T. Alkyl Chain Length and Temperature Effects on Structural Properties of Pyrrolidinium-Based Ionic Liquids: A Combined Atomistic Simulation and Small-Angle X-ray Scattering Study J. Phys. Chem. Lett. 2012, 3, 125
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 125
    • Li, S.1    Banuelos, J.L.2    Guo, J.3    Anovitz, L.4    Rother, G.5    Shaw, R.W.6    Hillesheim, P.C.7    Dai, S.8    Baker, G.A.9    Cummings, P.T.10
  • 55
    • 79953315995 scopus 로고    scopus 로고
    • Communication: X-ray Scattering from Ionic Liquids with Pyrrolidinium Cations
    • Santos, C. S.; Murthy, N. S.; Baker, G. A.; Castner, E. W., Jr. Communication: X-ray Scattering from Ionic Liquids with Pyrrolidinium Cations J. Chem. Phys. 2011, 134, 121101
    • (2011) J. Chem. Phys. , vol.134 , pp. 121101
    • Santos, C.S.1    Murthy, N.S.2    Baker, G.A.3    Castner Jr., E.W.4
  • 57
    • 46249092554 scopus 로고    scopus 로고
    • GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
    • Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 4, 435
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 435
    • Hess, B.1    Kutzner, C.2    Van Der Spoel, D.3    Lindahl, E.4
  • 58
    • 33750349101 scopus 로고    scopus 로고
    • Molecular Force Field for Ionic Liquids III: Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions
    • Canongia Lopes, J. N.; Padua, A. A. H. Molecular Force Field for Ionic Liquids III: Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions J. Phys. Chem. B 2006, 110, 19586
    • (2006) J. Phys. Chem. B , vol.110 , pp. 19586
    • Canongia Lopes, J.N.1    Padua, A.A.H.2
  • 59
    • 8344262237 scopus 로고    scopus 로고
    • Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions
    • Canongia Lopes, J. N.; Padua, A. A. H. Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions J. Phys. Chem. B 2004, 108, 16893
    • (2004) J. Phys. Chem. B , vol.108 , pp. 16893
    • Canongia Lopes, J.N.1    Padua, A.A.H.2
  • 60
    • 1342344772 scopus 로고    scopus 로고
    • Modeling Ionic Liquids Using a Systematic All-Atom Force Field
    • Canongia Lopes, J. N.; Deschamps, J.; Padua, A. A. H. Modeling Ionic Liquids Using a Systematic All-Atom Force Field J. Phys. Chem. B 2004, 108, 2038
    • (2004) J. Phys. Chem. B , vol.108 , pp. 2038
    • Canongia Lopes, J.N.1    Deschamps, J.2    Padua, A.A.H.3
  • 61
    • 84943502952 scopus 로고
    • A Molecular Dynamics Method for Simulations in the Canonical Ensemble
    • Nose, S. A Molecular Dynamics Method for Simulations in the Canonical Ensemble Mol. Phys.: Int. J. Interface Chem. and Phys. 1984, 52, 255
    • (1984) Mol. Phys.: Int. J. Interface Chem. and Phys. , vol.52 , pp. 255
    • Nose, S.1
  • 62
    • 34547809547 scopus 로고
    • A Unified Formulation of the Constant Temperature Molecular Dynamics Methods
    • Nose, S. A Unified Formulation of the Constant Temperature Molecular Dynamics Methods J. Chem. Phys. 1984, 81, 511
    • (1984) J. Chem. Phys. , vol.81 , pp. 511
    • Nose, S.1
  • 63
    • 0019707626 scopus 로고
    • Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method
    • Parrinello, M.; Rahman, A. Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method J. Appl. Phys. 1981, 52, 7182
    • (1981) J. Appl. Phys. , vol.52 , pp. 7182
    • Parrinello, M.1    Rahman, A.2
  • 65
    • 33846823909 scopus 로고
    • Particle Mesh Ewald: An N log(N) Method for Ewald Sums in Large Systems
    • Darden, T.; York, D.; Pedersen, L. Particle Mesh Ewald: An N log(N) Method for Ewald Sums in Large Systems J. Chem. Phys. 1993, 98, 10089
    • (1993) J. Chem. Phys. , vol.98 , pp. 10089
    • Darden, T.1    York, D.2    Pedersen, L.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.