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Ab initio basis set study of the CO···He van der Waals interaction
Conference ObjectAbstract: The ab initio potential energy surface for the weakly bound van der Waals CO···He has been performedPalabras claves:Ab-initio calculations, Carbon monoxide, Van der WaalsAutores:Hernandez A.J., José Luis Paz, Salazar M.C.Fuentes:scopusAb initio excitation spectrum of the CO-Ar van der Waals molecule
ArticleAbstract: In the present contribution, we performed ab initio calculations at the CCSD(T) level of theory in tPalabras claves:BSSE, CCSD(T), Excitation energy, Van der Waals, Vibrational frequenciesAutores:Castejón H., Hernandez A.J., José Luis Paz, Salazar M.C.Fuentes:scopusAb initio test study of the N<inf>2</inf>...H<inf>2</inf> and N<inf>2</inf>...He van der Waals dimers
Conference ObjectAbstract: Quantum chemical fully ab initio conformational calculations was performed for the weakly bound vanPalabras claves:Dihydrogen, Dinitrogen, Van der Waals dimersAutores:Hernandez A.J., José Luis Paz, Salazar M.C.Fuentes:scopusOptical properties in a two-level system: Stochastic considerations
ArticleAbstract: In this work, we have studied the Four-wave mixing (FWM) absorptive and dispersive optical propertiePalabras claves:four-wave mixing, Spectral inhomogeneity, stochasticAutores:Gorayeb M., Hernandez A.J., José Luis PazFuentes:scopusIdentification of new resonances in non-degenerate four-wave mixing spectroscopy
ArticleAbstract: New resonances in frequency space for the non-degenerate four-wave mixing are presented in this workPalabras claves:four-wave mixing, Non-linear optical phenomena, Non-resonant effect, spectroscopyAutores:Bessega M.C., Hernandez A.J., José Luis PazFuentes:scopusTheoretical calculations for catalytic activation of N<inf>2</inf> on a modelled iron adsorption site
ArticleAbstract: MINDO/SR-UHF calculations were done on [FeN2]q(q = 1, 0 or -1 ) systems in end-on and side-on geometPalabras claves:Autores:Hernandez A.J., Luis Rincon, Ruette F.Fuentes:googlescopus