On the structure and dynamics of ionic liquids MG Del Pópolo, GA Voth The Journal of Physical Chemistry B 108 (5), 1744-1752, 2004 | 768 | 2004 |
Molecular dynamics simulation of ionic liquids: The effect of electronic polarizability T Yan, CJ Burnham, MG Del Pópolo, GA Voth The Journal of Physical Chemistry B 108 (32), 11877-11881, 2004 | 477 | 2004 |
Liquids with permanent porosity N Giri, MG Del Pópolo, G Melaugh, RL Greenaway, K Rätzke, T Koschine, ... Nature 527 (7577), 216-220, 2015 | 457 | 2015 |
Ab initio molecular dynamics simulation of a room temperature ionic liquid MG Del Pópolo, RM Lynden-Bell, J Kohanoff The Journal of Physical Chemistry B 109 (12), 5895-5902, 2005 | 315 | 2005 |
Simulations of ionic liquids, solutions, and surfaces RM Lynden-Bell, MG Del Popolo, TGA Youngs, J Kohanoff, CG Hanke, ... Accounts of chemical research 40 (11), 1138-1145, 2007 | 302 | 2007 |
Structure and dynamics of a confined ionic liquid. Topics of relevance to dye-sensitized solar cells C Pinilla, MG Del Pópolo, RM Lynden-Bell, J Kohanoff The Journal of Physical Chemistry B 109 (38), 17922-17927, 2005 | 244 | 2005 |
Simulation of the surface structure of butylmethylimidazolium ionic liquids RM Lynden-Bell, M Del Pópolo Physical Chemistry Chemical Physics 8 (8), 949-954, 2006 | 199 | 2006 |
Polarization relaxation in an ionic liquid confined between electrified walls C Pinilla, MG Del Pópolo, J Kohanoff, RM Lynden-Bell The Journal of Physical Chemistry B 111 (18), 4877-4884, 2007 | 166 | 2007 |
Alkylated organic cages: from porous crystals to neat liquids N Giri, CE Davidson, G Melaugh, MG Del Pópolo, JTA Jones, T Hasell, ... Chemical Science 3 (6), 2153-2157, 2012 | 147 | 2012 |
Simulation of interfaces between room temperature ionic liquids and other liquids RM Lynden-Bell, J Kohanoff, MG Del Popolo Faraday discussions 129, 57-67, 2005 | 142 | 2005 |
Designing and understanding permanent microporosity in liquids G Melaugh, N Giri, CE Davidson, SL James, MG Del Pópolo Physical Chemistry Chemical Physics 16 (20), 9422-9431, 2014 | 92 | 2014 |
Development of complex classical force fields through force matching to ab initio data: Application to a room-temperature ionic liquid TGA Youngs, MG Del Pópolo, J Kohanoff The Journal of Physical Chemistry B 110 (11), 5697-5707, 2006 | 77 | 2006 |
Ion Association in [bmim][PF6]/Naphthalene Mixtures: An Experimental and Computational Study MG Del Popolo, CL Mullan, JD Holbrey, C Hardacre, P Ballone Journal of the American Chemical Society 130 (22), 7032-7041, 2008 | 73 | 2008 |
Solvation structure and transport of acidic protons in ionic liquids: A first-principles simulation study MG Del Pópolo, J Kohanoff, RM Lynden-Bell The Journal of Physical Chemistry B 110 (17), 8798-8803, 2006 | 72 | 2006 |
Neutral and charged 1-butyl-3-methylimidazolium triflate clusters: equilibrium concentration in the vapor phase and thermal properties of nanometric droplets P Ballone, C Pinilla, J Kohanoff, MG Del Pópolo The Journal of Physical Chemistry B 111 (18), 4938-4950, 2007 | 67 | 2007 |
Nanometric ionic-liquid films on silica: a joint experimental and computational study S Bovio, A Podestà, P Milani, P Ballone, MG Del Pópolo Journal of Physics: Condensed Matter 21 (42), 424118, 2009 | 65 | 2009 |
Dry excess electrons in room-temperature ionic liquids CJ Margulis, HVR Annapureddy, PM De Biase, D Coker, J Kohanoff, ... Journal of the American Chemical Society 133 (50), 20186-20193, 2011 | 54 | 2011 |
An embedded atom approach to underpotential deposition phenomena CG Sanchez, MG Del Popolo, EPM Leiva Surface science 421 (1-2), 59-72, 1999 | 53 | 1999 |
Generation of palladium clusters on Au (111) electrodes: experiments and simulations M Del Popolo, E Leiva, H Kleine, J Meier, U Stimming, M Mariscal, ... Applied physics letters 81 (14), 2635-2637, 2002 | 51 | 2002 |
Molecular electrostatic properties of ions in an ionic liquid CER Prado, MGD Pópolo, TGA Youngs, J Kohanoff, RM Lynden-Bell Molecular Physics 104 (15), 2477-2483, 2006 | 50 | 2006 |