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Browsing by Author Roncero, Octavio

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RightsIssue DateTitleAuthor(s)
closedAccess2002A combined classical/quantum study of the photodissociation dynamics of NeBr2(B) near the Br2(B) dissociation limitProsmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo; Roncero, Octavio
closedAccess2010A density division embedding potential inversion techniqueRoncero, Octavio
openAccess27-Oct-2014A density-difference driven optimized embedding potential method to study the spectroscopy of Br2 in water clusters and clathrates cagesRoncero, Octavio
openAccess8-Jul-2014A density-difference-driven optimized embedding potential method to study the spectroscopy of Br$_2$ in water clusters and clathrate cagesRoncero, Octavio
openAccess24-Mar-2014A density-division embedding potential inversion techniqueRoncero, Octavio
openAccess2012A 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, Pablo
openAccess2010A 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, Pablo
openAccess2007A 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.
closedAccess2012A 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.
openAccess1996A three-dimensional wave packet study of Ar⋯I2(B)→Ar + I + I electronic predissociationRoncero, Octavio; Halberstadt, Nadine; Beswick J. Alberto
openAccess1991A 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.
closedAccess1994A wave packet study of Ar...I2(B)→Ar+I+I electronic predissociationRoncero, Octavio; Halberstadt, Nadine; Beswick J. Alberto
openAccess23-May-2005Ab initio potential-energy surface for the reaction Ca+HCl --> CaCl+HVerbockhaven, Gilles; Sanz, Cristina; Groenenboom, Gerrit C.; Roncero, Octavio; Avoird, Ad van der
openAccess2011Accurate time dependent wave packet calculations for the N+ OH reactionBulut, Niyazi; Roncero, Octavio; Jorfi, Mohamed; Honvault, Pascal
closedAccess2012Accurate 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, Octavio
closedAccess2012Accurate 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. Javier
openAccess2012Activity of the ABIDIN group on Simulations on Astrophysical ProcessesRoncero, Octavio
openAccess2005Adsorption 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.
openAccess2012An 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.
closedAccess2013Angular momentum polarization of the molecules in the Li + HF reactionKrasil'Nikov, M.B.; Vasyutinskii, O.S.; Roncero, Octavio