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Estela Carmona Novillo
Estela Carmona Novillo
Unknown affiliation
Verified email at iff.csic.es
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Cited by
Year
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
1182014
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
1102014
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
1042002
First principles investigation of hydrogen physical adsorption on graphynes' layers
M Bartolomei, E Carmona-Novillo, G Giorgi
Carbon 95, 1076-1081, 2015
872015
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
662013
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
652008
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
642008
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
622001
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
582011
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
582010
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
462008
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
462003
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
421998
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
332002
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
322006
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
311997
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
272011
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
272007
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
222004
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
172012
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