| Dissociation of water on defective carbon substrates MK Kostov, EE Santiso, AM George, KE Gubbins, MB Nardelli Physical review letters 95 (13), 136105, 2005 | 140 | 2005 |
| Adsorption and catalysis: The effect of confinement on chemical reactions EE Santiso, AM George, CH Turner, MK Kostov, KE Gubbins, ... Applied surface science 252 (3), 766-777, 2005 | 87 | 2005 |
| A general set of order parameters for molecular crystals EE Santiso, BL Trout The Journal of chemical physics 134 (6), 064109, 2011 | 85 | 2011 |
| Multi-scale molecular modeling of chemical reactivity EE Santiso, KE Gubbins Molecular Simulation 30 (11-12), 699-748, 2004 | 85 | 2004 |
| Dense packing of binary and polydisperse hard spheres E Santiso, EA Müller Molecular Physics 100 (15), 2461-2469, 2002 | 84 | 2002 |
| On the calculation of solid-fluid contact angles from molecular dynamics EE Santiso, C Herdes, EA Müller Entropy 15 (9), 3734-3745, 2013 | 58 | 2013 |
| Molecular modeling of freezing of simple fluids confined within carbon nanotubes FR Hung, B Coasne, EE Santiso, KE Gubbins, FR Siperstein, ... The Journal of chemical physics 122 (14), 144706, 2005 | 52 | 2005 |
| Separation of chemical reaction intermediates by metal–organic frameworks A Centrone, EE Santiso, TA Hatton Small 7 (16), 2356-2364, 2011 | 50 | 2011 |
| Confinement effects on chemical reactions—Toward an integrated rational catalyst design EE Santiso, MK Kostov, AM George, MB Nardelli, KE Gubbins Applied surface science 253 (13), 5570-5579, 2007 | 44 | 2007 |
| Perovskite-structured AMn x B 1− x O 3 (A= Ca or Ba; B= Fe or Ni) redox catalysts for partial oxidation of methane A Mishra, N Galinsky, F He, EE Santiso, F Li Catalysis Science & Technology 6 (12), 4535-4544, 2016 | 42 | 2016 |
| Modelling the interfacial behaviour of dilute light-switching surfactant solutions C Herdes, EE Santiso, C James, J Eastoe, EA Müller Journal of colloid and interface science 445, 16-23, 2015 | 37 | 2015 |
| Catalytic role of carbons in methane decomposition for CO- and -free hydrogen generation L Huang, EE Santiso, MB Nardelli, KE Gubbins The Journal of chemical physics 128 (21), 214702, 2008 | 33 | 2008 |
| Effect of confinement on chemical reactions EE Santiso, AM George, M Sliwinska-bartkowiak, MB Nardelli, ... Adsorption 11 (1), 349-354, 2005 | 33 | 2005 |
| Computer simulations of homogeneous nucleation of benzene from the melt M Shah, EE Santiso, BL Trout The Journal of Physical Chemistry B 115 (35), 10400-10412, 2011 | 31 | 2011 |
| Curvature dependency of surface tension in multicomponent systems E Santiso, A Firoozabadi AIChE journal 52 (1), 311-322, 2006 | 30 | 2006 |
| Pressure enhancement in confined fluids: effect of molecular shape and fluid–wall interactions D Srivastava, EE Santiso, KE Gubbins Langmuir 33 (42), 11231-11245, 2017 | 26 | 2017 |
| Effect of confinement by porous carbons on the unimolecular decomposition of formaldehyde EE Santiso, AM George, KE Gubbins, M Buongiorno Nardelli The Journal of chemical physics 125 (8), 084711, 2006 | 25 | 2006 |
| A remarkable shape-catalytic effect of confinement on the rotational isomerization of small hydrocarbons EE Santiso, M Buongiorno Nardelli, KE Gubbins The Journal of chemical physics 128 (3), 034704, 2008 | 24 | 2008 |
| An efficient and robust algorithm for the calculation of gas–liquid critical point of multicomponent petroleum fluids H Hoteit, E Santiso, A Firoozabadi Fluid phase equilibria 241 (1-2), 186-195, 2006 | 23 | 2006 |
| Oxygen vacancy creation energy in Mn-containing perovskites: an effective indicator for chemical looping with oxygen uncoupling A Mishra, T Li, F Li, EE Santiso Chemistry of Materials 31 (3), 689-698, 2018 | 22 | 2018 |
