PDI - Resultado de Búsqueda

Eduardo Jose Delgado Ramirez

Professor

FACULTAD DE CIENCIAS QUIMICAS,UNIVERSIDAD DE CONCEPCION

Concepcion, Chile

Computational Chemistry, Computational biochemistry

Chemistry, Universidad de Concepcion. Chile, 1990

Professor Full Time

UNIVERSIDAD DE CONCEPCION

Chemical Sciences

Concepción, Chile

1990 - A la fecha

Professor Full Time

Universidad de Concepción

Concepción, Chile

1990 - A la fecha

-Physical Chemistry Graduate Course, 2013, 2014


A milecular dynamics study on the role of the protonation state in the biosynthesis of R-PAC by AHAS Alvarado, Omar., Garcia-Meseguer, Rafael., Ruiz-Pernia, Jose., Tuñon, Iñaki., Delgado Eduardo J. Article CHEMICAL PHYSICS LETTERS (2019)
Molecular Insights on the Release of Avibactam from the Acyl-Enzyme Complex Lizana I.; Delgado E.J. Article ISI SCOPUS BIOPHYSICAL JOURNAL (2019)
Theoretical Evidence for the Nonoccurrence of Tetrahedral Intermediates in the Deacylation Pathway of the Oxacillinase-24/Avibactam Complex Lizana I.; Ortiz-LÃ³pez D.; Delgado-Hurtado A.; Delgado E.J. Article ISI SCOPUS ACS OMEGA (2019)
Theoretical insights on the inhibition mechanism of a Class A serine hydrolase by avibactam Lizana Ignacio, Delgado Eduardo J. Article JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)
A DFT study on the chiral synthesis of R-phenylacetyl carbinol within the quantum chemical cluster approach Alvarado, Omar; Lizana, Ignacio; Jaña, Gonzalo; Tuñon, Iñaki; Delgado, Eduardo Article CHEMICAL PHYSICS LETTERS (2017)
A DFT study on the chiral synthesis of R-phenylacetyl carbinol wothin the quantum chemical cluster approach Alvarado, Omar., Lizana, Igancio., Jaña, Gonzalo., Tuñon, Iñaki., Delgado, Eduardo J. Article CHEMICAL PHYSICS LETTERS (2017)
A QM/MM study on the enzymatic ianctivation of cefotaxime Lizana, Ignacio; Delgado, Eduardo J. Article JOURNAL OF MOLECULAR MODELING (2017)
Electronic properties and catalytic performance for DME combustion of lanthanum manganites with partial B-site substitution Dinamarca, R; Sepulveda, C; Delgado E.J.; Peña O.; Fierro, J.L.G.; Pecchi G. Article ISI SCOPUS JOURNAL OF CATALYSIS (2016)
Catalytic combustion of soot on Ce-doped lanthanum cobaltites Pecchi G.; Morales R.; Delgado E.J.; Jimenez, R; Fraga, M Article SCOPUS Journal of the Chilean Chemical Society (2015)
New Insights on the Reaction Pathway Leading to Lactyl-ThDP: A Theoretical Approach Lizana, I; Jana, GA; Delgado, EJ Article JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
New Insights on the Reaction Pathway Leading to Lactyl-ThDP: A Theoretical Approach Lizana I.; Jana, GA; Delgado, EJ Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
A QM/MM Study on the Reaction Pathway Leading to 2-Aceto-2-Hydroxybutyrate in the Catalytic Cycle of AHAS Sánchez L.; Jana, GA; Delgado, EJ Article ISI JOURNAL OF COMPUTATIONAL CHEMISTRY (2014)
How important id the synclinal conformation of sulfonylureas to explain the inhibition of AHAS: a theoretical study Jana, Gonzalo A.; Delgado, Eduardo J.; Medina, Fabiola E. Article JJournal of Chemical Information and Modeling (2014)
How important is the synclinal conformation of sulfonylureas to explain the inhibition of AHAS: a theoretical study. Jaña, Gonzalo A; Delgado, Eduardo J; Medina, Fabiola E Article Journal of chemical information and modeling (2014)
Activity of KNbO3 as catalyst for soot combustion: Effect of the preparation method Pecchi, G; Cabrera, B; Delgado, EJ; Garcia, X; Jimenez, R Article APPLIED CATALYSIS A-GENERAL (2013)
Catalytic oxidation of soot over alkaline niobates Pecchi, G; Cabrera, B; Buljan, A; Delgado, EJ; Gordon, AL; Jimenez, R Article JOURNAL OF ALLOYS AND COMPOUNDS (2013)
Electron density reactivity indexes of the tautomeric/ionization forms of thiamin diphosphate Jana, GA; Delgado, EJ Article ISI SCOPUS Journal of Molecular Modeling (2013)
Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDP Alvarado O.; Jana, G; Delgado E.J. Article ISI SCOPUS Journal of Computer-Aided Molecular Design (2012)
A QM/MM study on the last two steps of the catalytic cycle of acetohydroxyacid synthase Jana, G; Jimenez, V; Villa-Freixa, J; Prat-Resina, X; Delgado, E.; Alderete, JB Article ISI SCOPUS Computational and Theoretical Chemistry (2011)
Density-functional study on the equilibria in the ThDP activation Delgado, EJ; Alderete, JB; Jana, GA Article ISI SCOPUS Journal of Molecular Modeling (2011)
Effect of B-site cation on the catalytic activity of La 1-xCa xBO 3 (B = Fe, Ni) perovskite-type oxides for toluene combustion Pecchi G.; Jiliberto M.G.; Delgado E.J.; Cadus L.E.; Fierro, J.L.G. Article JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY (2011)
On the inhibition of AHAS by chlorimuron ethyl: A theoretical study Jana, GA; Alderete, JB; Delgado, EJ Article ISI SCOPUS Chemical Physics Letters (2011)
Reaction kinetics of methane combustion over La 1-xCa xFeO 3 perovskites Pecchi G.; Graciela Jiliberto M.; Delgado E.J. Article Journal of the Chilean Chemical Society (2011)
Reaction kinetics of methane combustion over La 1-xCa xFeO 3 perovskites Pecchi G.; Graciela Jiliberto M.; Delgado E.J. Article SCOPUS Journal of the Chilean Chemical Society (2011)
REACTION KINETICS OF METHANE COMBUSTION OVER La1-x Ca FeO3 PEROVSKITES Pecchi, Gina; JILIBERTO, M. GRACIELA; Delgado, Eduardo J. Article SCIELO Journal of the Chilean Chemical Society (2011)
REACTION KINETICS OF METHANE COMBUSTION OVER LA1-XCAXFEO3 PEROVSKITES Pecchi, Gina; Jiliberto, Maria; Delgado, Eduardo. Article Journal of the Chilean Chemical Society (2011)
Relation between defects and catalytic activity of calcium doped LaFeO3 perovskite Pecchi G.; Jiliberto, MG; Buljan, A.; Delgado, EJ Article ISI SCOPUS Solid State Ionics (2011)
Computational study on the carboligation reaction of acetohidroxyacid synthase: New approach on the role of the HEThDP- intermediate Jana, G; Jimenez, V; Villa-Freixa, J; Prat-Resina, X; Delgado, E.; Alderete J. Article ISI SCOPUS Proteins: Structure, Function and Bioinformatics (2010)
Theoretical calculation of partition coefficients of dimethoxypyrimidinylsalicylic acids Delgado, EJ Article ISI SCOPUS Journal of Molecular Modeling (2010)
DFT calculation of pK(a)'s for dimethoxypyrimidinylsalicylic based herbicides Delgado, EJ Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2009)
Effect of additive Ag on the physicochemical and catalytic properties of LaMn 0.9Co 0.1O 3.5 perovskite Pecchi G.; Campos C M; Jiliberto M.G.; Delgado E.J.; Fierro, J.L.G. Article APPLIED CATALYSIS A-GENERAL (2009)
Quantitative prediction of AHAS inhibition by pyrimidinylsalicylate based herbicides Diaz GA; Delgado, EJ Article ISI SCOPUS PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY (2009)
Quantitative Prediction of Solvation Free Energy in Octanol of Organic Compounds Delgado, EJ; Jana, GA Article ISI SCOPUS INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2009)
"""On the complexation of allopurinol with ?-cyclodextrin""" Jimenez, V; Alderete, J. B.; Belmar J.; Delgado E.J.; Gavin, J Article Structural Chemistry (2006)
A molecular structure based model for predicting surface tension of organic compounds Delgado, EJ; Diaz GA Article ISI SCOPUS SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2006)
DFT derived solvation models for organic compounds in alkane solvents Delgado, EJ; Alderete, JB; Jana, GA Article ISI SCOPUS CHEMICAL PHYSICS (2006)
On the complexation of allopurinol with beta-cyclodextrin Jimenez, V; Alderete, JB; Delgado, EJ; Belmar J.; Gavin, J Article ISI SCOPUS STRUCTURAL CHEMISTRY (2006)
Predicting infinite dilution activity coefficients of organic compounds in water by quantum-connectivity descriptors Estrada E.; Diaz GA; Delgado, EJ Article ISI SCOPUS JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2006)
On the aggregation state and QSPR models. The solubility of herbicides as a case study Delgado, EJ; Alderete, JB; Matamala, AR; Jana, GA Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)
Quantum-connectivity descriptors in modeling solubility of environmentally important organic compounds Estrada E.; Delgado, EJ; Alderete, JB; Jana, GA Article ISI SCOPUS JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
A simple QSPR model for predicting soil sorption coefficients of polar and nonpolar organic compounds from molecular formula Delgado, EJ; Alderete, JB; Jana, GA Article ISI JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)
Prediction of Henry's law constants of triazine derived herbicides from quantum chemical continuum solvation models Delgado, EJ; Alderete, JB Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)
On the calculation of Henry's law constants of chlorinated benzenes in water from semiempirical quantum chemical methods Delgado, EJ; Alderete J. Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2002)
Predicting aqueous solubility of chlorinated hydrocarbons from molecular structure Delgado, EJ Article ISI FLUID PHASE EQUILIBRIA (2002)
Predicting gas chromatographic retention time of polychlorinated dibenzo-p-dioxins from molecular structure Delgado, EJ; Matamala Á.; Alderete, JB Article ISI SCOPUS ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2002)
Chaotic oscillations in a lipid doped membrane Delgado, EJ; Medina, C Article ISI SCOPUS JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY (2001)


A computational Chemistry Approach for the Catalytic Cycle of AHAS Delgado, Eduardo Jose BookSection (2018)


Perovskites as catalysts for environmental remediation Pecchi G.; Delgado E.J. BookWhole SCOPUS International Conference on Noise and Vibration Engineering 2012, ISMA 2012, including USD 2012: International Conference on Uncerta (2013)