| Graphdiyne pores:“Ad Hoc” openings for helium separation applications M Bartolomei, E Carmona-Novillo, MI Hernández, J Campos-Martínez, ... The Journal of Physical Chemistry C 118 (51), 29966-29972, 2014 | 118 | 2014 |
| Penetration barrier of water through graphynes’ pores: first-principles predictions and force field optimization M Bartolomei, E Carmona-Novillo, MI Hernández, J Campos-Martínez, ... The Journal of Physical Chemistry Letters 5 (4), 751-755, 2014 | 110 | 2014 |
| The system: An experimental potential energy surface and calculated rotovibrational levels of the molecular nitrogen dimer V Aquilanti, M Bartolomei, D Cappelletti, E Carmona-Novillo, F Pirani The Journal of chemical physics 117 (2), 615-627, 2002 | 104 | 2002 |
| First principles investigation of hydrogen physical adsorption on graphynes' layers M Bartolomei, E Carmona-Novillo, G Giorgi Carbon 95, 1076-1081, 2015 | 86 | 2015 |
| Global potentials for the interaction between rare gases and graphene-based surfaces: an atom–bond pairwise additive representation M Bartolomei, E Carmona-Novillo, MI Hernandez, J Campos-Martinez, ... The Journal of Physical Chemistry C 117 (20), 10512-10522, 2013 | 65 | 2013 |
| On the dynamics of the H++ D2 (v=, j=)→ HD+ D+ reaction: A comparison between theory and experiment E Carmona-Novillo, T González-Lezana, O Roncero, P Honvault, ... The Journal of chemical physics 128 (1), 2008 | 65 | 2008 |
| The intermolecular potentials of the O 2–O 2 dimer: a detailed ab initio study of the energy splittings for the three lowest multiplet states M Bartolomei, MI Hernández, J Campos-Martínez, E Carmona-Novillo, ... Physical Chemistry Chemical Physics 10 (35), 5374-5380, 2008 | 64 | 2008 |
| Dimers of the major components of the atmosphere: Realistic potential energy surfaces and quantum mechanical prediction of spectral features V Aquilanti, M Bartolomei, D Cappelletti, E Carmona-Novillo, F Pirani Physical Chemistry Chemical Physics 3 (18), 3891-3894, 2001 | 62 | 2001 |
| Global ab initio potential energy surfaces for the O2 (Σ3g−)+ O2 (Σ3g−) interaction M Bartolomei, E Carmona-Novillo, MI Hernández, J Campos-Martínez, ... The Journal of chemical physics 133 (12), 2010 | 58 | 2010 |
| Long‐range interaction for dimers of atmospheric interest: dispersion, induction and electrostatic contributions for O2 O2, N2 N2 and O2 N2 M Bartolomei, E Carmona‐Novillo, MI Hernández, J Campos‐Martínez, ... Journal of computational chemistry 32 (2), 279-290, 2011 | 56 | 2011 |
| Accurate ab initio intermolecular potential energy surface for the quintet state of the O2 (Σg− 3)–O2 (Σg− 3) dimer M Bartolomei, E Carmona-Novillo, MI Hernández, J Campos-Martínez, ... The Journal of chemical physics 128 (21), 2008 | 46 | 2008 |
| The asymmetric dimer N2-O2: Characterization of the potential energy surface and quantum mechanical calculation of rotovibrational levels V Aquilanti, M Bartolomei, E Carmona-Novillo, F Pirani Journal of Chemical Physics 118 (5), 2214-2222, 2003 | 46 | 2003 |
| Jump in depletion rates of highly excited O2: Reaction or enhanced vibrational relaxation? J Campos-Martınez, E Carmona-Novillo, J Echave, MI Hernández, ... Chemical physics letters 289 (1-2), 150-155, 1998 | 42 | 1998 |
| Quantum mechanics of molecular oxygen clusters: rotovibrational dimer dynamics from realistic potential energy surfaces V Aquilanti, E Carmona-Novillo, F Pirani Physical Chemistry Chemical Physics 4 (20), 4970-4978, 2002 | 33 | 2002 |
| Invariant energy partitions in chemical reactions and cluster dynamics simulations V Aquilanti, EC Novillo, E Garcia, A Lombardi, MB Sevryuk, E Yurtsever Computational materials science 35 (3), 187-191, 2006 | 32 | 2006 |
| Theoretical evidence for the reaction O2 (ν)+ O2 (ν= 0)→ O3 (X1A1)+ O (3P) R Hernández-Lamoneda, MI Hernández, E Carmona-Novillo, ... Chemical physics letters 276 (1-2), 152-156, 1997 | 31 | 1997 |
| Molecular oxygen tetramer (O): Intermolecular interactions and implications for the solid phase M Bartolomei, E Carmona-Novillo, MI Hernández, J Pérez-Ríos, ... Physical Review B—Condensed Matter and Materials Physics 84 (9), 092105, 2011 | 27 | 2011 |
| Intermolecular interaction potentials for the Ar–C2H2, Kr–C2H2, and Xe–C2H2 weakly bound complexes: Information from molecular beam scattering, pressure broadening coefficients … D Cappelletti, M Bartolomei, E Carmona-Novillo, F Pirani, G Blanquet, ... The Journal of chemical physics 126 (6), 2007 | 27 | 2007 |
| Quantum dynamics of clusters on experimental potential energy surfaces: Triplet and quintet O2‐O2 surfaces and dimers of para‐N2 with ortho‐ and para‐N2 and with O … E Carmona‐Novillo, F Pirani, V Aquilanti International journal of quantum chemistry 99 (5), 616-627, 2004 | 22 | 2004 |
| Ab initio rovibrational structure of the lowest singlet state of O2-O2 E Carmona-Novillo, M Bartolomei, MI Hernández, J Campos-Martínez, ... The Journal of Chemical Physics 137 (11), 2012 | 17 | 2012 |
