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Journal of Molecular Modeling|June 2, 2018
Blue M2: an intermediate melanoidin studied via conceptual DFTJuan Frau, Daniel Glossman-MitnikFrontiers in Chemistry|May 17, 2018
Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated DerivativeJuan Frau, Daniel Glossman-MitnikChemistry Central Journal|July 20, 2012
DFT study of the effect of substituents on the absorption and emission spectra of IndigoFrancisco Cervantes-Navarro, Daniel Glossman-MitnikMolecules (Basel, Switzerland)|March 25, 2017
Computational Prediction of the Protonation Sites of Ac-Lys-(Ala)n-Lys-NH2 Peptides through Conceptual DFT DescriptorsSebastián Sastre, Juan Frau, Daniel Glossman-MitnikMolecules (Basel, Switzerland)|December 6, 2016
A Molecular Electron Density Theory Study of the Chemical Reactivity of Cis- and Trans-ResveratrolJuan Frau, Francisco Muñoz, Daniel Glossman-MitnikJournal of Molecular Modeling|January 30, 2007
CHIH-DFT determination of the molecular structure infrared spectra, UV spectra and chemical reactivity of three antitubercular compounds: Rifampicin, Isoniazid and PyrazinamideAlejandra Favila, Marco Gallo, Daniel Glossman-MitnikJournal of Molecular Modeling|January 20, 2018
Assessment of ten density functionals through the use of local hyper-softness to get insights about the catalytic activity : Iron-based organometallic compounds for ethylene polymerization as testing moleculesJorge I Martínez-Araya, Daniel Glossman-MitnikACS Omega|December 7, 2020
KID Procedure Applied on the [(PY5Me2)MoO]+ ComplexDaniel Glossman-Mitnik, Jorge I Martínez-ArayaJournal of Molecular Modeling|June 12, 2020
Influence on the reactivity properties of the substitution by different halogens on the conjugated backbone of the 1,3,5-triaryl-2-pyrazoline skeleton in relation to the increasing alkyloxy chain length: a conceptual density functional theory studyNorma Flores-Holguín, Asghar Abbas, Daniel Glossman-MitnikChemistryopen|November 22, 2021
Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT-Based Estimation of the Chemical Reactivity Properties of Marine CyclopeptidesNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikPageof 10