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Results 1-11 of 11 (Search time: 0.193 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
2closedAccessaccesoRestringido.pdf.jpg2014First-principles simulations of vibrational states and spectra for H 5 + and D5 + clusters using multiconfiguration time-dependent Hartree approachValdés, Álvaro ; Prosmiti, Rita artículo
3closedAccessaccesoRestringido.pdf.jpg2012Classical dynamics study of atomic oxygen over graphite (0001) with new interpolated and analytical potential energy surfacesMorón, Victor; Martin-Gondre, L.; Crespos, Cédric; Larregaray, Pascal; Gamallo, Pablo; Sayós, Ramónartículo
4openAccessAlMogran.pdf.jpg2014On the use of explicitly correlated treatment methods for the generation of accurate polyatomic -He/H2 interaction potential energy surfaces: The case of C3-He complex and generalizationAl Mogren, M.M.; Denis-Alpizar, O.; Ben Abdallah, D.; Stoecklin, T.; Halvick, P.; Senent, María Luisa ; Hochlaf, M.artículo
5openAccessAfull0001.pdf.jpg22-Jan-2015A full-configuration-interaction nuclear orbital approach and application for doped He clustersLara Castells, María Pilar de ; Aguirre, Néstor F. ; Delgado Barrio, Gerardo  ; Villarreal, Pablo ; Mitrushchenkov, Alexander O. artículo
6openAccessJCP-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
7openAccessJCP-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
8openAccessRoncero.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
9openAccessThe smallest proton-bound .pdf.jpg5-Aug-2019The smallest proton-bound dimer H+5 : Theoretical progressProsmiti, Rita ; Valdés, Álvaro artículo
10openAccessEfficient N2.pdf.jpg2013Efficient N2 formation on Ag(111) by eley-rideal recombination of hyperthermal atomsBlanco-Rey, María; Díaz, Estíbaliz; Bocan, Gisela A.; Díez Muiño, Ricardo  ; Alducin Ochoa, Maite ; Juaristi Oliden, Joseba Iñaki artículo
11embargoedAccessBytautas.pdf.jpg22-Aug-2018Seniority based energy renormalization group (Ω-ERG) approach in quantum chemistry: Initial formulation and application to potential energy surfacesBytautas, Laimutis; Dukelsky, Jorge artículo
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