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 He79 Br2 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 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 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 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 Graphene multi-protonation: A cooperative mechanism for proton permeation M Bartolomei, MI Hernández, J Campos-Martínez, ...
Carbon 144, 724-730, 2019
35 2019 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