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scopus(4)
Non-Born-Oppenheimer nuclear and electronic densities for a three-particle Hooke-Coulomb model
ArticleAbstract: Non-Born-Oppenheimer, nBO, one-particle nuclear and electron densities for a Hooke-Coulomb model ofPalabras claves:Hooke-Coulomb model, Non-Born-Oppenheimer, One-particle densitiesAutores:Andrés S. Urbina, C. G. Rodríguez, Dennis Cazar Ramirez, Eduardo V. Ludeña, Fernando Javier TorresFuentes:scopusHiding in the Crowd: Spectral Signatures of Overcoordinated Hydrogen-Bond Environments
ArticleAbstract: Molecules with an excess number of hydrogen-bonding partners play a crucial role in fundamental chemPalabras claves:Autores:Andrés S. Urbina, Ben-Amotz D., Lu W., Markland T.E., Morawietz T., Wise P.K., Wu X.Fuentes:scopusHydration and Seamless Integration of Hydrogen Peroxide in Water
ArticleAbstract: Raman multivariate curve resolution is used to decompose the vibrational spectra of aqueous hydrogenPalabras claves:Autores:Andrés S. Urbina, Ben-Amotz D., Bredt A.J., Mendes De Oliveira D., Slipchenko L.V.Fuentes:scopusInsights on the aromaticity of imidazolylidene carbenes by means of DFT calculations
ArticleAbstract: The effect of sixteen substituents on the structure of imidazolylidene carbenes was studied using fiPalabras claves:Aromatic fluctuation index, Aromatic stabilization energy, Harmonic oscillator model of aromaticity, Imidazolylidene carbenes, Nuclear independent chemical shift, Singlet-triplet energy gapAutores:Andrés S. Urbina, César H. Zambrano, Fernando Javier Torres, Luis RinconFuentes:scopus