| Advances in asphaltene science and the Yen–Mullins model OC Mullins, H Sabbah, J Eyssautier, AE Pomerantz, L Barré, AB Andrews, ... Energy & Fuels 26 (7), 3986-4003, 2012 | 1092 | 2012 |
| HOMO− LUMO gap as an index of molecular size and structure for polycyclic aromatic hydrocarbons (PAHs) and asphaltenes: A theoretical study. I Y Ruiz-Morales The Journal of Physical Chemistry A 106 (46), 11283-11308, 2002 | 441 | 2002 |
| Polycyclic aromatic hydrocarbons of asphaltenes analyzed by molecular orbital calculations with optical spectroscopy Y Ruiz-Morales, OC Mullins Energy & fuels 21 (1), 256-265, 2007 | 184 | 2007 |
| Coarse-grained molecular simulations to investigate asphaltenes at the oil–water interface Y Ruiz-Morales, OC Mullins Energy & Fuels 29 (3), 1597-1609, 2015 | 155 | 2015 |
| Island versus archipelago architecture for asphaltenes: polycyclic aromatic hydrocarbon dimer theoretical studies F Alvarez-Ramírez, Y Ruiz-Morales Energy & fuels 27 (4), 1791-1808, 2013 | 153 | 2013 |
| Electronic absorption edge of crude oils and asphaltenes analyzed by molecular orbital calculations with optical spectroscopy Y Ruiz-Morales, X Wu, OC Mullins Energy & fuels 21 (2), 944-952, 2007 | 131 | 2007 |
| Dissociation Energies, Vibrational Frequencies, and 13C NMR Chemical Shifts of the 18-Electron Species [M(CO)6]n (M = Hf−Ir, Mo, Tc, Ru, Cr, Mn, Fe). A … AW Ehlers, Y Ruiz-Morales, EJ Baerends, T Ziegler Inorganic Chemistry 36 (22), 5031-5036, 1997 | 125 | 1997 |
| Origin of the hydridic 1H NMR chemical shift in low-valent transition-metal hydrides Y Ruiz-Morales, G Schreckenbach, T Ziegler Organometallics 15 (19), 3920-3923, 1996 | 113 | 1996 |
| Calculation of the interaction potential curve between asphaltene− asphaltene, asphaltene− resin, and resin− resin systems using density functional theory F Alvarez-Ramirez, E Ramirez-Jaramillo, Y Ruiz-Morales Energy & Fuels 20 (1), 195-204, 2006 | 111 | 2006 |
| The agreement between Clar structures and nucleus-independent chemical shift values in pericondensed benzenoid polycyclic aromatic hydrocarbons: an application of the Y-Rule Y Ruiz-Morales The Journal of Physical Chemistry A 108 (49), 10873-10896, 2004 | 98 | 2004 |
| A Theoretical Study of 31P and 95Mo NMR Chemical Shifts in M(CO)5PR3 (M = Cr, Mo; R = H, CH3, C6H5, F, and Cl) Based on Density Functional Theory … Y Ruiz-Morales, T Ziegler The Journal of Physical Chemistry A 102 (22), 3970-3976, 1998 | 92 | 1998 |
| Measured and simulated electronic absorption and emission spectra of asphaltenes Y Ruiz-Morales, OC Mullins Energy & fuels 23 (3), 1169-1177, 2009 | 87 | 2009 |
| Theoretical study of 13C and 17O NMR shielding tensors in transition metal carbonyls based on density functional theory and gauge-including atomic orbitals Y Ruiz-Morales, G Schreckenbach, T Ziegler The Journal of Physical Chemistry 100 (9), 3359-3367, 1996 | 85 | 1996 |
| The calculation of 77Se chemical shifts using gauge including atomic orbitals and density functional theory G Schreckenbach, Y Ruiz‐Morales, T Ziegler The Journal of chemical physics 104 (21), 8605-8612, 1996 | 73 | 1996 |
| Coarse-grain molecular dynamics simulations to investigate the bulk viscosity and critical micelle concentration of the ionic surfactant sodium dodecyl sulfate (SDS) in aqueous … Y Ruiz-Morales, A Romero-Martínez The Journal of Physical Chemistry B 122 (14), 3931-3943, 2018 | 65 | 2018 |
| Calculation of 125Te Chemical Shifts Using Gauge-Including Atomic Orbitals and Density Functional Theory Y Ruiz-Morales, G Schreckenbach, T Ziegler The Journal of Physical Chemistry A 101 (22), 4121-4127, 1997 | 56 | 1997 |
| Molecular orbital calculations and optical transitions of PAHs and asphaltenes Y Ruiz-Morales Asphaltenes, Heavy Oils, and Petroleomics, 95-137, 2007 | 52 | 2007 |
| Experimental and theoretical approach to determine the average asphaltene structure of a crude oil from the golden lane (Faja de Oro) of Mexico Y Ruiz-Morales, AD Miranda-Olvera, B Portales-Martı́nez, JM Domı́nguez Energy & Fuels 34 (7), 7985-8006, 2020 | 47 | 2020 |
| Ab initio molecular dynamics calculations of the phase transformation mechanism for the formation of TiO2 titanate-type nanosheets from anatase F Alvarez-Ramirez, Y Ruiz-Morales Chemistry of materials 19 (12), 2947-2959, 2007 | 46 | 2007 |
| Aromaticity in pericondensed cyclopenta-fused polycyclic aromatic hydrocarbons determined by density functional theory nucleus-independent chemical shifts and the Y-rule … Y Ruiz-Morales Canadian Journal of Chemistry 87 (10), 1280-1295, 2009 | 41 | 2009 |