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Browsing by Author Paniagua, Miguel

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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, Octavio artículo
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
closedAccessaccesoRestringido.pdf.jpg2004Dynamics and kinetics of the F + OH reaction on the ground triplet potential energy surfaceGómez Carrasco, Susana ; González-Sánchez, Lola; Aguado, Alfredo ; Paniagua, Miguel; Roncero, Octavio ; Hernández, M. Luz; Alvariño, José M.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, Alfredo artículo
openAccessSanz-Sanz.pdf.jpg2013Full dimensional potential energy surface for the ground state of H 4 + system based on triatomic-in-molecules formalismSanz-Sanz, Cristina ; Roncero, Octavio ; Paniagua, Miguel; Aguado, Alfredo artículo
openAccessAguado.pdf.jpg2000Global potential energy surfaces for the H+ 3 system. Analytical representation of the adiabatic ground-state 11A′ potentialAguado, Alfredo ; Roncero, Octavio ; Tablero, César; Sanz, Cristina; Paniagua, Miguelartículo
openAccessInversion_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
closedAccess2009Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructuresZanchet, Alexandre ; Dorta-Urra, A. ; Roncero, Octavio ; Flores, F.; Tablero, César; Paniagua, Miguel; Aguado, Alfredo artículo
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, Octavio artículo
openAccessJCP132-034301.pdf.jpg15-Jan-2010Potential energy surface and reactive collisions for the Au+H2 systemZanchet, Alexandre ; Roncero, Octavio ; Omar, Salama; Paniagua, Miguel; Aguado, Alfredo artículo
openAccessAguado.pdf.jpg1997Potential energy surface and wave packet calculations on the Li+HF→LiF+H reactionAguado, Alfredo ; Paniagua, Miguel; Lara, Manuel; Roncero, Octavio artículo
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, Octavio artículo
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, Octavio artículo
openAccessLara.pdf.jpg1998Quantum stereodynamics of the Li+HF(v,j) reactive collision for different initial states of the reagentLara, Manuel; Aguado, Alfredo ; Roncero, Octavio ; Paniagua, Miguelartículo
openAccessAguado.pdf.jpg1997Quantum study of the Li+HF→LiF+H reactionAguado, Alfredo ; Paniagua, Miguel; Lara, Manuel; Roncero, Octavio artículo
openAccessLara.pdf.jpg2000State-to-state reaction probabilities using bond coordinates: application to the Li+HF(v,j) collisionLara, Manuel; Aguado, Alfredo ; Paniagua, Miguel; Roncero, Octavio artículo
openAccessSanz.pdf.jpg2001The lowest triplet state 3A′ of H3 +: Global potential energy surface and vibrational calculationsSanz, Cristina; Roncero, Octavio ; Tablero, César; Aguado, Alfredo ; Paniagua, Miguelartículo
openAccessTransition_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
openAccessTransition_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
openAccessTransition_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