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closedAccessaccesoRestringido.pdf.jpg2002A combined classical/quantum study of the photodissociation dynamics of NeBr2(B) near the Br2(B) dissociation limitProsmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Roncero, Octavio CSIC ORCID artículo
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, A. CSIC; Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2010A density division embedding potential inversion techniqueRoncero, Octavio CSIC ORCID comunicación de congreso
openAccess27-Oct-2014A density-difference driven optimized embedding potential method to study the spectroscopy of Br2 in water clusters and clathrates cagesRoncero, Octavio CSIC ORCID comunicación 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, Octavio CSIC ORCID comunicación de congreso
openAccessDensity0003.pdf.jpg24-Mar-2014A density-division embedding potential inversion techniqueRoncero, Octavio CSIC ORCID comunicación de congreso
openAccess2012A quantum chemistry approach to energies, structures, and spectroscopy of doped helium clustersPérez de Tudela, Ricardo CSIC ORCID; López Durán, David; Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Gainturco, F.A.; Jellinek, J.; Villarreal, Pablo CSIC ORCIDartículo
openAccessescanear0002.pdf.jpg2010A quantum mechanical approach to study rovibrational spectra of molecular trimersMárquez-Mijares, Maykel CSIC; Pérez de Tudela, Ricardo CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDcomunicación de congreso
openAccessLara.pdf.jpg2007A quantum-mechanical study of the O2 photodesorption from a reduced TiO2(110) surfaceLara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.; Roncero, Octavio CSIC ORCID ; Krause, Jeffrey L.comunicación de congreso
openAccess25-Sep-2017A resonant energy transfer toy model for CO iceRoncero, Octavio CSIC ORCID comunicación de congreso
openAccessA Ring Polymer.pdf.jpg10-Apr-2018A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the H2 + H3 + → H3 + + H2 ReactionSuleimanov, Yury V.; Aguado, Alfredo CSIC ORCID; Gómez Carrasco, Susana CSIC ORCID CVN; Roncero, Octavio CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical study on electronic predissociation in the NeBr 2 van der Waals moleculeHernández-Lamoneda, Ramón; Sanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID ; 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 CSIC ORCID ; Halberstadt, Nadine; Beswick J. Albertoartículo
openAccessVillarreal.pdf.jpg1991A wave packet Golden Rule treatment of vibrational predissociationVillarreal, Pablo CSIC ORCID; Miret-Artés, Salvador CSIC ORCID; Roncero, Octavio CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; 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 CSIC ORCID ; 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 CSIC ORCID ; Avoird, Ad van derartículo
openAccessBulut.pdf.jpg2011Accurate time dependent wave packet calculations for the N+ OH reactionBulut, Niyazi; Roncero, Octavio CSIC ORCID ; Jorfi, Mohamed; Honvault, Pascalartículo
closedAccessaccesoRestringido.pdf.jpg30-Mar-2015Accurate time-dependent wave packet calculations for the O(+) + H2 → OH(+) + H ion-molecule reactionBulut, N.; Castillo, J.F.; Jambrina, P.G.; Kł os, J.; Roncero, Octavio CSIC ORCID ; Aoiz, F. Javier CSIC ORCID; Bañares, L.artículo
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 CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
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 CSIC ORCID ; Aoiz, F. Javier CSIC ORCIDartículo