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Changes in relaxation times and strength constant and its effect on four-wave mixing spectra
ArticleAbstract: In the present work we have studied modifications in the four-wave mixing (FWM) signal with independPalabras claves:four-wave mixing, Intramolecular coupling, Potential curves, Relaxation times, Strength constantAutores:Cusati T., Hernandez A.J., José Luis PazFuentes:scopusBasis set dependent SCα exchange-only and exchange-correlation calculations
ArticleAbstract: The basis set dependent SCα approximation was applied to the LDA, PW91, and B1x exchange functionalPalabras claves:Autores:Eduardo V. Ludeña, Gonzalez C.A., González I., Hernandez A.J., Karasiev V.V.Fuentes:scopusA Finite B-Spline Basis Set for Accurate Diatomic Molecule Calculations
ArticleAbstract: A finite basis set particularly adapted for solving the Hartree-Fock equation for diatomic moleculesPalabras claves:B-spline basis set, Diatomic molecule calculationsAutores:Artemyev A., Eduardo V. Ludeña, Hernandez A.J., Karasiev V.V.Fuentes:scopusA density functional theory test study on the N<inf>2</inf>⋯He dimer
ArticleAbstract: In the present contribution we report a study of the weakly bound van der Waals N2-He molecule in thPalabras claves:density functional theory, Energy surface, Van der WaalsAutores:Eduardo V. Ludeña, Hernandez A.J., José Luis Paz, Manzanares I C., Salazar M.C.Fuentes:scopusAB INITIO interaction and spectral properties of CO<sup>+</sup>-He
Conference ObjectAbstract: Ab initio calculations at the CCSD(T) level of theory in the framework of the supermolecule approachPalabras claves:Autores:Hernandez A.J., José Luis Paz, Lugo I., Salazar M.C.Fuentes:scopusDensity functional theory test study on the CO ···· He dimer
ArticleAbstract: In the current paper we have investigated the bonding properties of the weakly bound van der Waals CPalabras claves:Ab initio, CO-He, density, functional, Van der WaalsAutores:Eduardo V. Ludeña, Hernandez A.J., José Luis Paz, Manzanares I C., Salazar M.C.Fuentes:scopusAb 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 conformational study of the CO ⃛H<inf>2</inf> van der Waals dimer
ArticleAbstract: Quantum chemical fully ab initio conformational calculations were performed for the weakly bound vanPalabras claves:Autores:De Castro A., Diercksen G.H.F., 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:scopus