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 | 114 | 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 | 108 | 2014 |
A study of HOCO resonances in the OH+CO→CO2+H reaction MI Hernández, DC Clary The Journal of chemical physics 101 (4), 2779-2784, 1994 | 69 | 1994 |
Temperature-independent quantum logic for molecular spectroscopy J Mur-Petit, JJ García-Ripoll, J Pérez-Ríos, J Campos-Martínez, ... Physical Review A 85 (2), 022308, 2012 | 66 | 2012 |
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 |
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 | 63 | 2013 |
Vibrational predissociation dynamics of the He79Br2 van der Waals molecule: A quantum mechanical study T González‐Lezana, MI Hernández, G Delgado‐Barrio, AA Buchachenko, ... The Journal of chemical physics 105 (17), 7454-7463, 1996 | 63 | 1996 |
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 O2O2, N2N2 and O2N2 M Bartolomei, E Carmona‐Novillo, MI Hernández, J Campos‐Martínez, ... Journal of computational chemistry 32 (2), 279-290, 2011 | 56 | 2011 |
Structure and spectroscopy of the van der Waals cluster MI Hernández, N Halberstadt, WD Sands, KC Janda The Journal of Chemical Physics 113 (17), 7252-7267, 2000 | 55 | 2000 |
Transmission of helium isotopes through graphdiyne pores: Tunneling versus zero point energy effects MI Hernández, M Bartolomei, J Campos-Martínez The Journal of Physical Chemistry A 119 (43), 10743-10749, 2015 | 53 | 2015 |
Intermolecular Potential of the O2−O2 Dimer. An ab Initio Study and Comparison with Experiment R Hernandez-Lamoneda, M Bartolomei, MI Hernandez, ... The Journal of Physical Chemistry A 109 (50), 11587-11595, 2005 | 49 | 2005 |
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 | 45 | 2008 |
Quantum-mechanical study of the resonances of the SN 2 reaction Cl-+ CH 3 Cl→ ClCH 3+ Cl MI Hernández, J Campos-Martínez, P Villarreal, S Schmatz, DC Clary Physical Chemistry Chemical Physics 1 (6), 1197-1203, 1999 | 45 | 1999 |
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 |
Graphene multi-protonation: A cooperative mechanism for proton permeation M Bartolomei, MI Hernández, J Campos-Martínez, ... Carbon 144, 724-730, 2019 | 37 | 2019 |
Photodissociation of below and above the dissociation limit of O Roncero, J Campos-Martı́nez, MI Hernández, G Delgado-Barrio, ... The Journal of Chemical Physics 115 (6), 2566-2575, 2001 | 36 | 2001 |
A combined experimental-theoretical study of the vibrational predissociation and product rotational distributions for high vibrational levels of A Rohrbacher, T Ruchti, KC Janda, AA Buchachenko, MI Hernández, ... The Journal of chemical physics 110 (1), 256-266, 1999 | 36 | 1999 |
Four‐center reactions: A quantal model for H4 MI Hernández, DC Clary The Journal of chemical physics 104 (21), 8413-8423, 1996 | 36 | 1996 |
Coronene molecules in helium clusters: Quantum and classical studies of energies and configurations R Rodríguez-Cantano, R Perez de Tudela, M Bartolomei, MI Hernández, ... The Journal of Chemical Physics 143 (22), 2015 | 34 | 2015 |