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Results 1-18 of 18 (Search time: 0.41 seconds).
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RightsPreviewIssue DateTitleAuthor(s)Type
1openAccessA new ab initio.pdf.jpg8-Jul-2015A new ab initio potential energy surface for the collisional excitation of N2H(+) by H2Spielfiedel, A.; Senent, María Luisa ; Kalugina, Y.; Scribano, Y.; Balança, C.; Lique, F.; Feautrier, N.artículo
2openAccessJCP-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
3openAccessJCP-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
4openAccessGetPDFServlet.pdf.jpg1-Jun-2002Ab initio ground state potential energy surfaces for Rg–Br2 (Rg = He, Ne, Ar) complexesProsmiti, Rita ; Cunha, Carlos; Villarreal, Pablo ; Delgado Barrio, Gerardo  artículo
5openAccessGetPDFServlet.pdf.jpg5-Jan-2005Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complexValdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo  artículo
6openAccessGetPDFServlet.pdf.jpg8-Dec-2002Vibrational predissociation of NeBr2 (X, v = 1) using an ab initio potential energy surfaceProsmiti, Rita ; Cunha, Carlos; Buchachenko, Alexei A.; Delgado Barrio, Gerardo  ; Villarreal, Pablo artículo
7openAccessRoncero.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
8openAccessHeI2_complex_JChemPhys_2007.pdf.jpg22-May-2007Ab initio potential energy surface and spectrum of the B(3Π) state of the HeI2 complexValdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo  ; Werner, Hans-Joachimartículo
9openAccessAb_initio_JChemPhys_2007.pdf.jpg29-Jun-2007Ab initio vibrational predissociation dynamics of He-I2(B) complexValdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo  ; Lemoine, Didier; Lepetit, Brunoartículo
10openAccessPhotodetachment_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
11openAccessFOH_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
12openAccessBorn_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
13openAccessVibrational_quenching_JChemPhys_2006.pdf.jpg24-Apr-2006Vibrational quenching of CO2(010) by collisions with O(3P) at thermal energies: A quantum-mechanical studyLara Castells, María Pilar de ; Hernández, Marta I. ; Delgado Barrio, Gerardo  ; Villarreal, Pablo ; López-Puertas, Manuel artículo
14openAccessCoupled_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
15openAccessTransition_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
16openAccessDirect_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
17openAccessTransition_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
18openAccessPotential_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
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