English   español  

Browsing by Author Roncero, Octavio

Showing results 1 to 20 of 134  next >
RightsPreviewIssue DateTitleAuthor(s)Type
closedAccessaccesoRestringido.pdf.jpg2002A 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
openAccessA comparative.pdf.jpg16-Apr-2015A comparative study of the Au + H2, Au+ + H2, and Au− + H2 systems: Potential energy surfaces and dynamics of reactive collisionsDorta-Urra, Anais; Zanchet, Alexandre; Roncero, Octavio; Aguado, AlfredoArtículo
closedAccessaccesoRestringido.pdf.jpg2010A density division embedding potential inversion techniqueRoncero, OctavioComunicación de congreso
openAccess27-Oct-2014A density-difference driven optimized embedding potential method to study the spectroscopy of Br2 in water clusters and clathrates cagesRoncero, OctavioComunicación de congreso
openAccessDensity0001.pdf.jpg8-Jul-2014A density-difference-driven optimized embedding potential method to study the spectroscopy of Br$_2$ in water clusters and clathrate cagesRoncero, OctavioComunicación de congreso
openAccessDensity0003.pdf.jpg24-Mar-2014A density-division embedding potential inversion techniqueRoncero, OctavioComunicación de congreso
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, PabloArtículo
openAccessescanear0002.pdf.jpg2010A 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
openAccessLara.pdf.jpg2007A 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
closedAccessaccesoRestringido.pdf.jpg2012A 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
openAccessJCP.pdf.jpg1996A three-dimensional wave packet study of Ar⋯I2(B)→Ar + I + I electronic predissociationRoncero, Octavio; Halberstadt, Nadine; Beswick J. AlbertoArtículo
openAccessVillarreal.pdf.jpg1991A 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
closedAccessaccesoRestringido.pdf.jpg1994A wave packet study of Ar...I2(B)→Ar+I+I electronic predissociationRoncero, Octavio; Halberstadt, Nadine; Beswick J. AlbertoArtículo
openAccessPotential_energy_surface_JChemPhys_2005.pdf.jpg23-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
openAccessBulut.pdf.jpg2011Accurate time dependent wave packet calculations for the N+ OH reactionBulut, Niyazi; Roncero, Octavio; Jorfi, Mohamed; Honvault, PascalArtículo
closedAccessaccesoRestringido.pdf.jpg2012Accurate 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
closedAccessembargo.pdf.jpg2012Accurate 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
openAccessRoncero.pdf.jpg2012Activity of the ABIDIN group on Simulations on Astrophysical ProcessesRoncero, OctavioComunicación de congreso
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.Artículo
openAccessZanchet.pdf.jpg2012An 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