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Estela Carmona Novillo
Estela Carmona Novillo
Affiliation inconnue
Adresse e-mail validée de iff.csic.es
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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
1002002
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
972014
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
912014
First principles investigation of hydrogen physical adsorption on graphynes' layers
M Bartolomei, E Carmona-Novillo, G Giorgi
Carbon 95, 1076-1081, 2015
652015
On the dynamics of the reaction: A comparison between theory and experiment
E Carmona-Novillo, T González-Lezana, O Roncero, P Honvault, ...
The Journal of chemical physics 128 (1), 014304, 2008
622008
On the dynamics of the reaction: A comparison between theory and experiment
E Carmona-Novillo, T González-Lezana, O Roncero, P Honvault, ...
The Journal of chemical physics 128 (1), 014304, 2008
622008
Global potentials for the interaction between rare gases and graphene-based surfaces: An atom–bond pairwise additive representation
M Bartolomei, E Carmona-Novillo, MI Hernández, J Campos-Martinez, ...
The Journal of Physical Chemistry C 117 (20), 10512-10522, 2013
572013
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
552008
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
552001
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
502011
Global ab initio potential energy surfaces for the interaction
M Bartolomei, E Carmona-Novillo, MI Hernández, J Campos-Martínez, ...
The Journal of chemical physics 133 (12), 124311, 2010
482010
The asymmetric dimer Characterization of the potential energy surface and quantum mechanical calculation of rotovibrational levels
V Aquilanti, M Bartolomei, E Carmona-Novillo, F Pirani
The Journal of chemical physics 118 (5), 2214-2222, 2003
442003
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
401998
Accurate ab initio intermolecular potential energy surface for the quintet state of the dimer
M Bartolomei, E Carmona-Novillo, MI Hernández, J Campos-Martínez, ...
The Journal of chemical physics 128 (21), 214304, 2008
382008
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
302006
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
302002
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
301997
Intermolecular interaction potentials for the , , and weakly bound complexes: Information from molecular beam scattering, pressure …
D Cappelletti, M Bartolomei, E Carmona-Novillo, F Pirani, G Blanquet, ...
The Journal of chemical physics 126 (6), 064311, 2007
252007
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 84 (9), 092105, 2011
232011
Molecular oxygen tetramer (O 2) 4: Intermolecular interactions and implications for the ε solid phase
M Bartolomei, E Carmona-Novillo, MI Hernández, J Pérez-Ríos, ...
Physical Review B 84 (9), 092105, 2011
232011
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