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Browsing by Author Roncero, Octavio

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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
openAccessCollisional_JChemPhys_2005.pdf.jpg12-Aug-2005Collisional and photoinitiated reaction dynamics in the ground electronic state of Ca–HClSanz, Cristina; Avoird, Ad van der; Roncero, OctavioArtículo
openAccessCompetition_JChemPhys_2005.pdf.jpg15-Jan-2005Competition between adiabatic and nonadiabatic fragmentation pathways in the unimolecular decay of the ArI2(B) van der Waals complexRoncero, Octavio; Buchachenko, Alexei A.; Lepetit, BrunoArtículo
openAccessCoordinate_transformation_JChemPhys_2006.pdf.jpg1-Aug-2006Coordinate transformation methods to calculate state-to-state reaction probabilities with wave packet treatmentsGómez Carrasco, Susana; Roncero, OctavioArtículo
openAccessCoupled_diabatic_JChemPhys_2006.pdf.jpg26-Oct-2006Coupled diabatic potential energy surfaces for studying the nonadiabatic dynamics at conical intersections in angular resolved photodetachment simulations of OHF- --> OHF+e-Gómez Carrasco, Susana; Aguado, Alfredo; Paniagua, Miguel; Roncero, OctavioArtículo
openAccessDetailed_quantum_JChemPhys_2006.pdf.jpg6-Sep-2006A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H(+) + H2 --> H2 + H(+) exchange reactionGonzález Lezana, Tomás; Roncero, Octavio; Honvault, Pascal; Launay, Jean-Michel; Bulut, Niyazi; Aoiz, F. Javier; Bañares, LuisArtículo
openAccessDirect_versus_resonances_JChemPhys_2004.pdf.jpg8-Sep-2004Direct versus resonances mediated F+OH collisions on a new 3A'' potential energy surfaceGómez Carrasco, Susana; González-Sánchez, Lola; Aguado, Alfredo; Roncero, Octavio; Alvariño, José M.; Hernández, M. Luz; Paniagua, MiguelArtículo
openAccesscoursORoncero.pdf.jpgSep-2007Dynamique réactionnelle et processus photoinitiésRoncero, OctavioTrabajo de divulgación
openAccessIJQC06_revised.pdf.jpg9-May-2007Exact and quantum chemistry-like calculations in helium doped clusters: The He2Br2(X) exampleRoncero, Octavio; Pérez de Tudela, Ricardo; Lara Castells, M. Pilar de; Prosmiti, Rita; Delgado Barrio, Gerardo; Villarreal, PabloArtículo
openAccessBorn_Oppenheimer_JChemPhys_2008.pdf.jpg29-Apr-2008Exact, Born–Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) systemRoncero, Octavio; Lara Castells, M. Pilar de; Delgado Barrio, Gerardo; Villarreal, Pablo; Stoecklin, T.; Voronin, A.; Rayez, J. C.Artículo
openAccessFOH_JChemPhys_2005.pdf.jpg22-Sep-2005F+OH reactive collisions on new excited 3A'' and 3A' potential-energy surfacesGómez Carrasco, Susana; Roncero, Octavio; González-Sánchez, Lola; Hernández, M. Luz; Alvariño, José M.; Paniagua, Miguel; Aguado, AlfredoArtículo
openAccessInversion_technique_JChemPhys_2008.pdf.jpg10-Nov-2008An inversion technique for the calculation of embedding potentialsRoncero, Octavio; Lara Castells, M. Pilar de; Villarreal, Pablo; Flores, F.; Ortega, J.; Paniagua, Miguel; Aguado, AlfredoArtículo
openAccessJChemPhys_2008.pdf.jpg3-Jan-2008On the dynamics of the H(+) + D2(v=0, j=0) --> HD + D(+) reaction: A comparison between theory and experimentCarmona-Novillo, Estela; González Lezana, Tomás; Roncero, Octavio; Honvault, Pascal; Launay, Jean-Michel; Bulut, Niyazi; Aoiz, F. Javier; Bañares, Luis; Trottier, Alexandre; Wrede, EckartArtículo
openAccessPhotodetachment_JChemPhys_2004.pdf.jpg1-Jul-2004Photodetachment spectrum of OHF-: Three-dimensional study of the heavy–light–heavy resonancesGonzález-Sánchez, Lola; Gómez Carrasco, Susana; Aguado, Alfredo; Paniagua, Miguel; Hernández, M. Luz; Alvariño, José M.; Roncero, OctavioArtículo
openAccessJChemPhys_2005.pdf.jpg16-Nov-2005Quantum approaches for the insertion dynamics of the H(+) + D2 and D(+) + H2 reactive collisionsGonzález Lezana, Tomás; Aguado, Alfredo; Paniagua, Miguel; Roncero, OctavioArtículo
closedAccessNov-2004Quantum stereodynamics of the F+OH(v, j) reactive collision on the 1(3) A'' stateGonzález-Sánchez, Lola; Gómez Carrasco, Susana; Aguado, Alfredo; Paniagua, Miguel; Hernández, M. Luz; Alvariño, José M.; Roncero, OctavioArtículo
closedAccess24-Feb-2009A Study of the Ar3 System at Low TemperaturePérez de Tudela, Ricardo; Márquez-Mijares, Maykel; González Lezana, Tomás; Roncero, Octavio; Miret-Artés, Salvador; Delgado Barrio, Gerardo; Villarreal, PabloArtículo
openAccessAr3_CPL_final.pdf.jpg20-Jun-2008Symmetry assignment in the distributed Gaussian functions method to study homonuclear rotating trimersMárquez-Mijares, Maykel; González Lezana, Tomás; Roncero, Octavio; Miret-Artés, Salvador; Delgado Barrio, Gerardo; Villarreal, PabloArtículo
openAccessTheoretical_investigation_JChemPhys_2009.pdf.jpg15-Apr-2009A theoretical investigation on the spectrum of the Ar trimer for high rotational excitationsMárquez-Mijares, Maykel; Pérez de Tudela, Ricardo; González Lezana, Tomás; Roncero, Octavio; Miret-Artés, Salvador; Delgado Barrio, Gerardo; Villarreal, Pablo; Baccarelli, Isabella; Gianturco, Franco Antonio; Rubayo-Soneira, JesúsArtículo
openAccessDynamics_ArBr2_JChemPhys_127_2007.pdf.jpg25-Oct-2007Time and frequency resolved dynamics of ArBr2Cabrera, José; Bieler, Craig R.; McKinney, Natalie; Veer, Wytze E. van der; Pio, Jordan M.; Janda, Kenneth; Roncero, OctavioArtículo