J. R. Mora

发表

QSAR and molecular docking modelling of anti-leishmanial activities of organic selenium and tellurium compounds

N. Cabrera, J. R. Mora, E. Márquez, 2020, SAR and QSAR in environmental research.

On the activation of σ-bonds by electric fields: A Valence Bond perspective

L. Rincón, F. J. Torres, J. R. Mora, 2016 .

Theoretical study on the mechanism of the gas-phase elimination kinetics of alkyl chloroformates

G. Chuchani, J. R. Mora, E. Márquez, 2016 .

Reaction mechanism of the gas-phase pyrolysis of N – acetylthiourea and N, N’–diacetylthiourea: a theoretical study based in density functional theory

J. R. Mora, E. Márquez, Y. Alvarado, 2022, Computational and Theoretical Chemistry.

Computational Molecular Modeling of Pin1 Inhibition Activity of Quinazoline, Benzophenone, and Pyrimidine Derivatives

N. Cabrera, J. R. Mora, E. Márquez, 2019, Journal of Chemistry.

Unveiling the structure‐reactivity relationship involved in the reaction mechanism of the HCl ‐catalyzed alkyl t ‐butyl ethers thermal decomposition. A computational study

L. Rincón, C. Zambrano, F. J. Torres, 2022, International Journal of Quantum Chemistry.

Effect of the Nucleophile’s Nature on Chloroacetanilide Herbicides Cleavage Reaction Mechanism. A DFT Study

L. Rincón, F. J. Torres, J. R. Mora, 2021, International journal of molecular sciences.

Theoretical investigation of the mechanism for the reductive dehalogenation of methyl halides mediated by the CoI-based compounds cobalamin and cobaloxime

Julio E Terán, L. Rincón, C. Zambrano, 2018, Journal of Molecular Modeling.

Predicting the Adsorption of Amoxicillin and Ibuprofen on Chitosan and Graphene Oxide Materials: A Density Functional Theory Study

J. R. Mora, E. Márquez, M. Mendez-Lopez, 2021, Polymers.

A valence bond study of the activation of methyl halides bonds by electric fields

L. Rincón, F. J. Torres, J. R. Mora, 2019, Journal of Theoretical and Computational Chemistry.

Theoretical Description of R–X⋯NH3 Halogen Bond Complexes: Effect of the R Group on the Complex Stability and Sigma-Hole Electron Depletion

L. Rincón, C. Zambrano, F. J. Torres, 2020, Molecules.

Degradation of Methyl Paraoxon in the Presence of Mg2+-Al3+ Mixed Oxides

I. H. Bechtold, G. I. Almerindo, F. Nome, 2013 .

Synthesis, characterization, and photophysical properties of a new 2,5-di(aryl)phosphole derivative and their trigonal copper–phosphole complexes

J. R. Mora, Yomaira Otero, Neskarlys Rios, 2020, Journal of Coordination Chemistry.

Theoretical study on thermal decomposition kinetics of allyl formates in the gas phase

Tania Córdova, G. Chuchani, J. R. Mora, 2013 .

Kinetics and mechanisms of the thermal decomposition of 2-methyl-1,3-dioxolane, 2,2-dimethyl-1,3-dioxolane, and cyclopentanone ethylene ketal in the gas phase. Combined experimental and DFT study.

Tania Córdova, G. Chuchani, J. R. Mora, 2012, The journal of physical chemistry. A.

Theoretical study of the furfuryl benzoate and furfuryl acetate pyrolysis

L. Rincón, C. Zambrano, F. J. Torres, 2019 .

Understanding the role of Zn2+ in the hydrolysis of glycylserine: a mechanistic study by using density functional theory

L. Rincón, F. J. Torres, J. R. Mora, 2017 .

Density Functional Theory and Ab Initio Study on the Reaction Mechanism of the Gas-Phase Thermal Elimination Kinetics of Oxetan-2-one and 4-Methyl- oxetan-2-one

Tania Córdova, G. Chuchani, J. R. Mora, 2014 .

Theoretical calculations on the gas-phase thermal decomposition kinetics of selected thiomethyl chloroalkanes: A new insight of the mechanism

Tania Córdova, G. Chuchani, J. R. Mora, 2014 .

Intramolecular general base catalysis in the hydrolysis of a phosphate diester. Calculational guidance to a choice of mechanism.

Nicholas H Williams, F. Nome, J. R. Mora, 2013, The Journal of organic chemistry.

Kinetics and mechanisms of the unimolecular elimination of 2,2-diethoxypropane and 1,1-diethoxycyclohexane in the gas phase: experimental and theoretical study.

Tania Córdova, G. Chuchani, J. R. Mora, 2012, The journal of physical chemistry. A.

Theoretical study of the importance of the spectator groups on the hydrolysis of phosphate triesters.

F. Nome, J. R. Mora, A. J. Kirby, 2012, The Journal of organic chemistry.

Density Functional Theory and Ab Initio Study on the Reaction Mechanisms of the Homogeneous, Unimolecular Elimination Kinetics of Selected 1-Chloroalkenes in the Gas Phase

Tania Córdova, G. Chuchani, J. R. Mora, 2012 .

Theoretical study of the mechanism for the gas-phase pyrolysis kinetics of 2-methylbenzyl chloride

Tania Córdova, G. Chuchani, J. R. Mora, 2011 .

Theoretical study of neighboring carbonyl group participation in the elimination kinetics of chloroketones in the gas phase

Tania Córdova, G. Chuchani, J. R. Mora, 2011 .

Theoretical calculations on the mechanisms of the gas-phase elimination kinetics of 2-chloro-1-phenylethane, 3-chloro-1-phenylpropane, 4-chloro-1-phenylbutane, 5-chloro-1-phenylpentane, and their corresponding chloroalkanes: The effect of the phenyl ring

Tania Córdova, G. Chuchani, J. R. Mora, 2011 .

The reaction mechanism of the gas‐phase thermal decomposition kinetics of neopentyl halides: A DFT study

Tania Córdova, G. Chuchani, J. R. Mora, 2011 .

Density functional theory calculations of the gas-phase elimination kinetics of 2-(dimethylamino)ethyl chloride and ethyl chloride

Tania Córdova, G. Chuchani, J. R. Mora, 2010 .

Combined experimental and theoretical studies of the elimination kinetic of 2-methoxytetrahydropyran in the gas phase

Tania Córdova, G. Chuchani, J. R. Mora, 2010 .

The mechanism of the homogeneous, unimolecular gas-phase elimination kinetic of 1,1-dimethoxycyclohexane: experimental and theoretical studies

Tania Córdova, G. Chuchani, J. R. Mora, 2010 .

Theoretical studies of the gas-phase pyrolysis kinetics of ω-bromonitriles, ZCH2CH2Br [Z = NC, NCCH2, NCCH2CH2]

Tania Córdova, G. Chuchani, J. R. Mora, 2009 .

Experimental and theoretical study of the mechanism for the kinetic of elimination of methyl carbazate in the gas phase

Tania Córdova, G. Chuchani, J. R. Mora, 2009 .

Theoretical calculations of the kinetics and mechanisms of the gas phase elimination of primary, secondary, and tertiary 2-hydroxyalkylbenzenes

José M. Albornoz, Antonio J. Hernández, Tania Córdova, 2009 .

Ab initio and DFT calculations on the gas phase elimination kinetics of 2,2‐diethoxy‐ethylamine and 2,2‐diethoxy‐N,N‐diethyl‐ethylamine

Tania Córdova, G. Chuchani, J. R. Mora, 2009 .

A DFT study of hydrogen and methane activation by B(C6F5)3/P(t-Bu)3 and Al(C6F5)3/P(t-Bu)3 frustrated Lewis pairs

A. Toro‐Labbé, L. Rincón, J. R. Mora, 2017, Journal of Molecular Modeling.

Major mechanistic differences between the reactions of hydroxylamine with phosphate di- and tri-esters.

F. Nome, J. R. Mora, A. J. Kirby, 2013, Organic & biomolecular chemistry.

Photophysical study and theoretical calculations of an ionic liquid crystal bearing oxadiazole

F. Nome, H. Gallardo, J. R. Mora, 2012 .

Surface charge of zwitterionic sulfobetaine micelles with 2-naphthol as a fluorescent probe.

F. Nome, C. A. Bunton, J. R. Mora, 2012, Langmuir : the ACS journal of surfaces and colloids.

Modeling the Antileukemia Activity of Ellipticine-Related Compounds: QSAR and Molecular Docking Study

J. R. Mora, E. Márquez, V. Flores-Morales, 2019, Molecules.