Mostrando 4 resultados de: 4
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2019 IEEE 4th Ecuador Technical Chapters Meeting, ETCM 2019(1)
International Journal of Quantum Chemistry(1)
Journal of Biological Inorganic Chemistry(1)
Molecular Simulation(1)
A review on the information content of the pair density as a tool for the description of the electronic properties in molecular systems
ReviewAbstract: Recent advances on the use of the information content of the pair density to understand bonding andPalabras claves:electron localization, Kullback-Leibler divergence, pair density, Reaction forceAutores:César H. Zambrano, Fernando Javier Torres, Jose R. Mora, Luis Rincon, Miguel Angel MéndezFuentes:scopusA theoretical study of the conformational preference of alkyl-and aryl-substituted pyrogallol[4]arenes and evidence of the accumulation of negative electrostatic potential within the cavity of their rccc conformers
ArticleAbstract: We report a theoretical study of the structural and electronic properties of the rccc and rctt confoPalabras claves:conformational preference, DFT, Electrostatic potential, Macromolecules, PyrogallolAutores:César H. Zambrano, Dueno E.E., Fernando Javier Torres, Miguel Angel Méndez, Robert A. Cazar, Sebastián ManzanoFuentes:scopusEnd-stacking of copper cationic porphyrins on parallel-stranded guanine quadruplexes
ArticleAbstract: Nucleic acids that contain multiple sequential guanines assemble into guanine quadruplexes (G-quadruPalabras claves:Copper porphyrin, End-stacking, Fourier transform ion cyclotron resonance mass spectrometry and electron paramagnetic resonance spectroscopy, Guanine quadruplex, Guanine quartetAutores:Evans S.E., Grimes R.T., Keating L.R., Melchoir S., Miguel Angel Méndez, Szalai V.A., Turner K.B.Fuentes:googlescopusPoly(vinyl alcohol) (PVA) in hydrogels, a molecular perspective
Conference ObjectAbstract: One of the main goals in the field of regenerative medicine is the construction of complex 3D scaffoPalabras claves:Autores:Cadena-Nogales A., Daniela A. Viteri, José F. Álvarez-Barreto, Marco Leon, Miguel Angel Méndez, Ona S.M.Fuentes:scopus