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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
1openAccessJCP-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 CSIC ORCID; Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
2openAccessVibrational_quenching_JChemPhys_2006.pdf.jpg24-abr-2006Vibrational quenching of CO2(010) by collisions with O(3P) at thermal energies: A quantum-mechanical studyLara Castells, María Pilar de CSIC ORCID ; Hernández, Marta I. CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; López-Puertas, Manuel CSIC ORCIDartículo
3openAccessGetPDFServlet.pdf.jpg8-dic-2002Vibrational predissociation of NeBr2 (X, v = 1) using an ab initio potential energy surfaceProsmiti, Rita CSIC ORCID; Cunha, Carlos; Buchachenko, Alexei A.; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDartículo
4openAccessBorn_Oppenheimer_JChemPhys_2008.pdf.jpg29-abr-2008Exact, Born–Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) systemRoncero, Octavio CSIC ORCID ; Lara Castells, María Pilar de CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Stoecklin, T.; Voronin, A.; Rayez, J. C.artículo
5openAccessJCP-Barragan-etal-2010.pdf.jpg2-ago-2010Toward a realistic density functional theory potential energy surface for the H5+ clusterBarragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
6openAccessGetPDFServlet.pdf.jpg1-jun-2002Ab initio ground state potential energy surfaces for Rg–Br2 (Rg = He, Ne, Ar) complexesProsmiti, Rita CSIC ORCID; Cunha, Carlos; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
7openAccessHeI2_complex_JChemPhys_2007.pdf.jpg22-may-2007Ab initio potential energy surface and spectrum of the B(3Π) state of the HeI2 complexValdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Werner, Hans-Joachimartículo
8openAccessAb_initio_JChemPhys_2007.pdf.jpg29-jun-2007Ab initio vibrational predissociation dynamics of He-I2(B) complexValdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Lemoine, Didier; Lepetit, Brunoartículo
9openAccessGetPDFServlet.pdf.jpg5-ene-2005Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complexValdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo