D
Daniel Glossman-Mitnik
Researcher at University of the Balearic Islands
Publications - 207
Citations - 3069
Daniel Glossman-Mitnik is an academic researcher from University of the Balearic Islands. The author has contributed to research in topics: Density functional theory & HOMO/LUMO. The author has an hindex of 26, co-authored 189 publications receiving 2470 citations. Previous affiliations of Daniel Glossman-Mitnik include National Autonomous University of Mexico & Autonomous University of Coahuila.
Papers
More filters
Journal ArticleDOI
Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties
TL;DR: In this article, the electronic and molecular structure of 1,3,4-thiadiazole and its derivatives, with different nucleophilic and electrophilic alkyl substituents (R1 and R2), obtained through quantum-chemistry calculations conducted by means of the gaussian 03W set of programs.
Journal ArticleDOI
Computational simulations of the molecular structure and corrosion properties of amidoethyl, aminoethyl and hydroxyethyl imidazolines inhibitors
Luz M. Rodríguez-Valdez,W. Villamisar,M. Casales,J. G. Gonzalez-Rodriguez,A. Martinez-Villafañe,Lorenzo Martinez,Daniel Glossman-Mitnik +6 more
TL;DR: In this article, the corrosion efficiency of hydroxyethyl, aminoethyl and amidoethyl imidazolines was evaluated by linear polarization resistance and polarization curves in deaerated 3% NaCl + Diesel + inhibitors saturated with CO2 at 50 °C.
Journal ArticleDOI
Theoretical study of the molecular properties and chemical reactivity of (+)-catechin and (−)-epicatechin related to their antioxidant ability
TL;DR: In this paper, the molecular structure and chemical reactivity properties of (+)-catechin and (−)-epicatechin were analyzed by analyzing the structural, chemical potential and energy properties, as well as Fukui indices, HOMO-LUMO distributions and 1 H-13 C NMR spectrometries using the CHIH(medium)-DFT model chemistry.
Journal ArticleDOI
DFT studies of functionalized carbon nanotubes and fullerenes as nanovectors for drug delivery of antitubercular compounds
TL;DR: It can be seen that the solubility of functionalized carbon nanotubes is higher than functionalized fullerenes, and both dissolutions in water are thermodynamically favorable.
Journal ArticleDOI
Fuel Gas Storage and Separations by Metal−Organic Frameworks: Simulated Adsorption Isotherms for H2 and CH4 and Their Equimolar Mixture
TL;DR: In this paper, using grand canonical Monte Carlo simulations, the authors calculated adsorption isotherms of pure and binary mixtures of hydrogen−methane in two large surface area MOFs (MOF-5 and MOF-177), two catenated MOFs, and a high affinity open metal site MOF with strong Znδ+−−Oδ− dipoles on the surface that create strong energetic interaction with the adsorbates.