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RightsPreviewIssue DateTitleAuthor(s)Type
1openAccessGonzalez.pdf.jpg2011Quantum stereodynamics of Li + HF reactive collisions: The role of reactants polarization on the differential cross sectionGonzález-Sánchez, Lola; Vasyutinskii, O.; Zanchet, Alexandre ; Sanz-Sanz, Cristina ; Roncero, Octavio artículo
2openAccessDorta.pdf.jpg2011Communication: Theoretical exploration of AuH2, D2, and HD reactive collisionsDorta-Urra, A. ; Zanchet, Alexandre ; Roncero, Octavio ; Aguado, Alfredo ; Armentrout, P.B.artículo
3closedAccessaccesoRestringido.pdf.jpg2011Understanding structure, size, and charge effects for the H2 dissociation mechanism on planar gold clustersZanchet, Alexandre ; Dorta-Urra, A. ; Aguado, Alfredo ; Roncero, Octavio artículo
4closedAccessaccesoRestringido.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, Octavio artículo
5openAccessSanz.pdf.jpg29-Dec-2011Quantum Zeno effect: quantum shuffling and MarkovianitySanz, Ángel S. ; Sanz-Sanz, Cristina ; González-Lezana, Tomás  ; Roncero, Octavio ; Miret-Artés, Salvador artículo
6closedAccessaccesoRestringido.pdf.jpg2011Temperature dependence of the energetics and structure for the Ar dimer and trimerPérez de Tudela, Ricardo ; Márquez-Mijares, Maykel ; González-Lezana, Tomás  ; Roncero, Octavio ; Miret-Artés, Salvador ; Delgado Barrio, Gerardo  ; Villarreal, Pablo artículo
7openAccessBulut.pdf.jpg2011Accurate time dependent wave packet calculations for the N+ OH reactionBulut, Niyazi; Roncero, Octavio ; Jorfi, Mohamed; Honvault, Pascalartículo
8openAccessSanz.pdf.jpg2011Infrared spectrum of H5 + and D5 +: The simplest shared-proton modelSanz-Sanz, Cristina ; Roncero, Octavio ; Valdés, Álvaro ; Prosmiti, Rita ; Delgado Barrio, Gerardo  ; Villarreal, Pablo ; Barragán, Patricia ; Aguado, Alfredo artículo
9closedAccessZanchet.pdf.jpg13-May-2010Nonadiabatic state-to-state reactive collisions among open shell reactants with conical intersections: the OH(2Π) + F(2P) example†Zanchet, Alexandre ; González-Lezana, Tomás  ; Aguado, Alfredo ; Gómez Carrasco, Susana ; Roncero, Octavio artículo
10openAccessJCP-Aguado-etal-2010.pdf.jpg14-Jul-2010A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional formAguado, Alfredo ; Barragán, Patricia ; Prosmiti, Rita ; Delgado Barrio, Gerardo  ; Villarreal, Pablo ; Roncero, Octavio artículo
11openAccessJCP-Barragan-etal-2010.pdf.jpg2-Aug-2010Toward a realistic density functional theory potential energy surface for the H5+ clusterBarragán, Patricia ; Prosmiti, Rita ; Roncero, Octavio ; Aguado, Alfredo ; Villarreal, Pablo ; Delgado Barrio, Gerardo  artículo
12openAccessJCP132-034301.pdf.jpg15-Jan-2010Potential energy surface and reactive collisions for the Au+H2 systemZanchet, Alexandre ; Roncero, Octavio ; Omar, Salama; Paniagua, Miguel; Aguado, Alfredo artículo
13closedAccessAug-2009Differential cross sections and product rotational polarization in A + BC reactions using wave packet methods: H+ D2 and Li + HF examplesZanchet, Alexandre ; Roncero, Octavio ; González-Lezana, Tomás  ; Rodríguez-López, A.; Aguado, Alfredo ; Sanz, Cristina; Gómez Carrasco, Susana artículo
14openAccessRonceroI.pdf.jpg23-Jun-2010A path-integral Monte Carlo study of a small cluster: The Ar trimerPérez de Tudela, Ricardo ; Márquez-Mijares, Maykel ; González-Lezana, Tomás  ; Roncero, Octavio ; Miret-Artés, Salvador ; Delgado Barrio, Gerardo  ; Villarreal, Pablo artículo
15closedAccessbieler.pdf.jpg15-Sep-2010NeCl2 and ArCl2: transition from direct vibrational predissociation to intramolecular vibrational relaxation and electronic nonadiabatic effects†R. Bieler, Craig; C. Janda, Kenneth; Hernández Lamoneda, Ramón; Roncero, Octavio artículo
16openAccessRoncero.pdf.jpg10-Jun-2010Communications: a model study on the electronic predissociation of the NeBr2 van der Waals complexSanz-Sanz, Cristina ; Roncero, Octavio ; Hernández-Lamoneda, Ramón; Pio, Jordán M.; Taylor, Molly A.; C. Janda, Kennethartículo
17openAccessDetailed_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
18openAccessJChemPhys_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, Octavio artículo
19openAccessPhotodetachment_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, Octavio artículo
20openAccessCoordinate_transformation_JChemPhys_2006.pdf.jpg1-Aug-2006Coordinate transformation methods to calculate state-to-state reaction probabilities with wave packet treatmentsGómez Carrasco, Susana ; Roncero, Octavio artículo
21openAccessInversion_technique_JChemPhys_2008.pdf.jpg10-Nov-2008An inversion technique for the calculation of embedding potentialsRoncero, Octavio ; Lara Castells, María Pilar de ; Villarreal, Pablo ; Flores, F.; Ortega, J.; Paniagua, Miguel; Aguado, Alfredo artículo
22openAccessFOH_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, Alfredo artículo
23openAccessBorn_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, María Pilar de ; Delgado Barrio, Gerardo  ; Villarreal, Pablo ; Stoecklin, T.; Voronin, A.; Rayez, J. C.artículo
24openAccessCompetition_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
25openAccessJChemPhys_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
26closedAccess24-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, Pablo artículo
27openAccessTheoretical_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
28openAccessIJQC06_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, María Pilar de ; Prosmiti, Rita ; Delgado Barrio, Gerardo  ; Villarreal, Pablo artículo
29openAccessCoupled_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, Octavio artículo
30openAccessCollisional_JChemPhys_2005.pdf.jpg12-Aug-2005Collisional and photoinitiated reaction dynamics in the ground electronic state of Ca–HClSanz, Cristina; Avoird, Ad van der; Roncero, Octavio artículo
31closedAccessNov-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, Octavio artículo
32openAccessTransition_state_spectroscopy_JChemPhys_2003.pdf.jpg15-Nov-2003Transition state spectroscopy of the excited electronic states of Li–HFAguado, Alfredo ; Paniagua, Miguel; Sanz, Cristina; Roncero, Octavio artículo
33openAccessAr3_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, Pablo artículo
34openAccessDirect_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
35openAccessTransition_state_dynamics_JChemPhys_2004.pdf.jpg22-Nov-2004Transition state dynamics of OHF on several electronic states: Photodetachment spectrum of OHF- and conical intersectionsGonzález-Sánchez, Lola; Gómez Carrasco, Susana ; Aguado, Alfredo ; Paniagua, Miguel; Hernández, M. Luz; Alvariño, José M.; Roncero, Octavio artículo
36openAccessPotential_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
37openAccesscoursORoncero.pdf.jpgSep-2007Dynamique réactionnelle et processus photoinitiésRoncero, Octavio trabajo de divulgación
38openAccessTransition_state_spectroscopy_revised.pdf.jpg2-Feb-2007Transition state spectroscopy of open shell systems: Angle-resolved photodetachment spectra for the adiabatic singlet states of OHFGómez Carrasco, Susana ; Aguado, Alfredo ; Paniagua, Miguel; Roncero, Octavio artículo
39closedAccess31-Jan-2008Transition-state spectroscopy of the photoinduced Ca + CH3F reaction. 3. Reaction following the local excitation to Ca(4s3d 1D)Gloaguen, Eric; Sanz, Cristina; Collier, M.; Gaveau, M.-A.; Soep, B.; Roncero, Octavio ; Mestdagh, J.-M.artículo
40openAccessDynamics_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, Octavio artículo
41openAccessJCP.pdf.jpg1996A three-dimensional wave packet study of Ar⋯I2(B)→Ar + I + I electronic predissociationRoncero, Octavio ; Halberstadt, Nadine; Beswick J. Albertoartículo
42openAccessRoncero.pdf.jpg1998Potential energy surface and spectroscopy of clusters of rare-gas atoms with cyclopropaneRoncero, Octavio ; Villarreal, Pablo ; Delgado Barrio, Gerardo  ; González-Platas, Javier; Bretón, Joséartículo
43openAccessRoncero.pdf.jpg2001Photodissociation of NeBr2(B) below and above the dissociation limit of Br2(B)Roncero, Octavio ; Campos-Martínez, José ; Hernández, Marta I. ; Delgado Barrio, Gerardo  ; Villarreal, Pablo ; Rubayo-Soneira, Jesúsartículo
44openAccess2005Adsorption and nonadiabatic processes in the photodesorption of molecular oxygen from the reduced TiO2(110) surfaceLara Castells, María Pilar de ; Mitrushchenkov, Alexander O. ; Roncero, Octavio ; Krause, Jeffrey L.artículo
45openAccessRoncero.pdf.jpg1993Coherence effects between intramolecular vibrational relaxation and dissociation in triatomic van der Waals systemsRoncero, Octavio ; Villarreal, Pablo ; Delgado Barrio, Gerardo  ; Halberstadt, Nadine; Janda, Kenneth C.artículo
46openAccessescanear0002.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, Pablo comunicación de congreso
47openAccessVillarreal.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
48closedAccessaccesoRestringido.pdf.jpg2010A density division embedding potential inversion techniqueRoncero, Octavio comunicación de congreso
49openAccessVillarreal.pdf.jpg1990Double continuum fragmentation in the vibrational predissociation X⋯BC(v)⋯Y→BC(v′<v)+X+Y of van der Waals complexes: A perturbative treatmentVillarreal, Pablo ; Miret-Artés, Salvador ; Roncero, Octavio ; Sema, S.; Campos-Martínez, José ; Delgado Barrio, Gerardo  artículo
50openAccessZanchet.pdf.jpg26-Apr-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
Results 1-50 of 180 (Search time: 1.695 seconds).