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Browsing by Author Roncero, Octavio

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Issue DateTitleAuthor(s)Type
2002A combined classical/quantum study of the photodissociation dynamics of NeBr2(B) near the Br2(B) dissociation limitProsmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo; Roncero, OctavioArtículo
2010A density division embedding potential inversion techniqueRoncero, OctavioComunicación de congreso
2012A quantum chemistry approach to energies, structures, and spectroscopy of doped helium clustersPérez de Tudela, Ricardo; López Durán, David; Lara Castells, María Pilar de; Prosmiti, Rita; Roncero, Octavio; Delgado Barrio, Gerardo; Gainturco, F.A.; Jellinek, J.; Villarreal, PabloArtículo
2010A quantum mechanical approach to study rovibrational spectra of molecular trimersMárquez-Mijares, Maykel; Pérez de Tudela, Ricardo; González Lezana, Tomás; Roncero, Octavio; Miret-Artés, Salvador; Delgado Barrio, Gerardo; Villarreal, PabloComunicación de congreso
2007A quantum-mechanical study of the O2 photodesorption from a reduced TiO2(110) surfaceLara Castells, María Pilar de; Mitrushchenkov, Alexander O.; Roncero, Octavio; Krause, Jeffrey L.Comunicación de congreso
2012A theoretical study on electronic predissociation in the NeBr 2 van der Waals moleculeHernández-Lamoneda, Ramón; Sanz-Sanz, Cristina; Roncero, Octavio; Pio, Jordan M.; Taylor, Molly A.; Janda, Kenneth C.Artículo
1996A three-dimensional wave packet study of Ar⋯I2(B)→Ar + I + I electronic predissociationRoncero, Octavio; Halberstadt, Nadine; Beswick J. AlbertoArtículo
1991A wave packet Golden Rule treatment of vibrational predissociationVillarreal, Pablo; Miret-Artés, Salvador; Roncero, Octavio; Delgado Barrio, Gerardo; Beswick J. Alberto; Halberstadt, Nadine; Coalson, R.D.Artículo
1994A wave packet study of Ar...I2(B)→Ar+I+I electronic predissociationRoncero, Octavio; Halberstadt, Nadine; Beswick J. AlbertoArtículo
23-May-2005Ab initio potential-energy surface for the reaction Ca+HCl --> CaCl+HVerbockhaven, Gilles; Sanz, Cristina; Groenenboom, Gerrit C.; Roncero, Octavio; Avoird, Ad van derArtículo
2011Accurate time dependent wave packet calculations for the N+ OH reactionBulut, Niyazi; Roncero, Octavio; Jorfi, Mohamed; Honvault, PascalArtículo
2012Accurate time-dependent wave packet study of the H+ + LiH reaction at early universe conditionAslan, E.; Bulut, Niyazi; Castillo, J.F.; Bañares, Luis; Aoiz, F. Javier; Roncero, OctavioArtículo
2012Accurate Time-Dependent Wave Packet Study of the Li + H2+ Reaction and Its Isotopic VariantsAslan, E.; Bulut, Niyazi; Castillo, J.F.; Bañares, Luis; Roncero, Octavio; Aoiz, F. JavierArtículo
2012Activity of the ABIDIN group on Simulations on Astrophysical ProcessesRoncero, OctavioComunicación de congreso
2005Adsorption and nonadiabatic processes in the photodesorption of molecular oxygen from the reduced TiO2(110) surfaceLara Castells, María Pilar de; Mitrushenkov, Alexander O.; Roncero, Octavio; Krause, Jeffrey L.Artículo
2012An accurate study of the dynamics of the C+OH reaction on the second excited 14A″ potential energy surfaceZanchet, Alexandre; González Lezana, Tomás; Roncero, Octavio; Jorfi, Mohamed; Honvault, Pascal; Hankel, M.Artículo
2013Angular momentum polarization of the molecules in the Li + HF reactionKrasil'Nikov, M.B.; Vasyutinskii, O.S.; Roncero, OctavioArtículo
1988Anharmonicity effects on the vibrational predissociation of the NeI2(B 3Πu +, ν) complex: A close-coupling infinite-order sudden treatmentRoncero, Octavio; Campos-Martínez, José; Cortina, A. M.; Villarreal, Pablo; Delgado Barrio, GerardoArtículo
1986Application of a diabatic distorted wave approximation to the study of X⋯H2 (X = He, Ne, Ar) van der Waals moleculesRoncero, Octavio; Miret-Artés, Salvador; Delgado Barrio, Gerardo; Villarreal, PabloArtículo
2000Application of a time-dependent Hartree approach on several surfaces to the vibrational predissociation of Ne2I2Carmona-Novillo, Estela; Campos-Martínez, José; Hernández, Marta I.; Roncero, Octavio; Villarreal, Pablo; Delgado Barrio, GerardoArtículo

Showing results 1 to 20 of 126