Jorge I. Martínez‐Araya

Universidad de Santiago de Chile — Chile

Physics and Astronomy · Physical Sciences

19h-index1.7kcitations74works2.22yr avg
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Research Topics

Advanced Chemical Physics Studies(16), Computational Drug Discovery Methods(14), Free Radicals and Antioxidants(14), Crystallography and molecular interactions(10), Machine Learning in Materials Science(10)

Publications74 total

Synthesis, Physicochemical Characterization, and Biocidal Evaluation of Three Novel Aminobenzoic Acid-Derived Schiff Bases Featuring Intramolecular Hydrogen Bonding
International Journal of Molecular Sciences·2025Open Access
Neither more nor less: Four types of carbon–carbon bonds in C20 revealed using local hyper-softness
Computational and Theoretical Chemistry·2025
Author response for "Tuning of Aromaticity and Reactivity in Gold-Substituted Cyclopropenyl Cations"
2025
Theoretical evidence of the CO$$_{2}$$ reduction by a Mo-based complex: a DFT study based on the reaction force decomposed into four components
Journal of Molecular Modeling·2025
Author response for "Structural Analyses of Glycyrrhiza glabra C-Glycosyltransferase: A Molecular Dynamics Study to Elucidate Catalytically Active Complexes"
2025
Structural analyses of <i>Glycyrrhiza glabra</i> C-glycosyltransferase: a molecular dynamics study to elucidate catalytically active complexes
Organic & Biomolecular Chemistry·2025
Tuning of aromaticity and reactivity in gold-substituted cyclopropenyl cations
Physical Chemistry Chemical Physics·2025· 2 citedOpen Access
Neither More Nor Less: Four Types of Carbon-Carbon Bonds in C20 Revealed Using Local Hyper-Softness
SSRN Electronic Journal·2025Open Access
Reaction force constant as a descriptor of the principle of non-perfect synchronization
Journal of Molecular Modeling·2024· 3 cited
Correction: Why local softness and local hyper–softness are more appropriate local reactivity descriptors than dual descriptor and Fukui functions?
Journal of Mathematical Chemistry·2024· 2 citedOpen Access
Correction: The dual descriptor potential
Journal of Mathematical Chemistry·2024Open Access
Correction: Why local softness and local hyper-softness are more appropriate local reactivity descriptors than dual descriptor and Fukui functions?
Journal of Mathematical Chemistry·2024· 1 citedOpen Access
Correction: The dual descriptor potential
Journal of Mathematical Chemistry·2024Open Access
Correction: Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively?
Journal of Mathematical Chemistry·2024· 1 citedOpen Access
The dual descriptor potential
Journal of Mathematical Chemistry·2024· 25 cited
The linear response function $$\chi (\textbf{r}, \textbf{r}^{'})$$: another perspective
Journal of Mathematical Chemistry·2024
Aromaticity of six-membered nitro energetic compounds through molecular electrostatic potential, magnetic, electronic delocalization and reactivity-based indices
Journal of Molecular Graphics and Modelling·2024· 3 cited
Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively?
Journal of Mathematical Chemistry·2023· 9 cited
The effect of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si221.svg" display="inline" id="d1e4037"> <mml:mrow> <mml:mrow> <mml:mo>{</mml:mo> <mml:mi mathvariant="normal">O</mml:mi> <mml:mo>,</mml:mo> <mml:mi mathvariant="normal">N</mml:mi> <mml:mo>}</mml:mo> </mml:mrow> <mml:mo linebreak="goodbreak" linebreakstyle="after">=</mml:mo> <mml:mi mathvariant="normal">X</mml:mi> <mml:mo linebreak="goodbreak" linebreakstyle="after">⋯</mml:mo> <mml:mi mathvariant="normal">M</mml:mi> <mml:mo linebreak="goodbreak" linebreakstyle="after">=</mml:mo> <mml:mrow> <mml:mo>{</mml:mo> <mml:mi mathvariant="normal">Ti,Zr,Hf</mml:mi> <mml:mo>}</mml:mo> </mml:mrow> </mml:mrow> </mml:math> interactions on the sensitivity of C NO <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si78.svg" display="inline" id="d1e4071"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> trigger bonds in FOX-7: Approach based on the QTAIM/EDA-NOCV analysis
Journal of Molecular Graphics and Modelling·2023· 1 cited
Why local hyper-softness is a more appropriate local reactivity descriptor than dual descriptor and Fukui function?
Research Square (Research Square)·2023Open Access
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Frequent Co-authors

Alejandro Toro‐Labbé(8), Daniel Glossman‐Mitnik(7), Pablo Jaque(6), Samir Kenouche(5), Diana Yepes(4), Claudia Sandoval-Yáñez(3), Guillermo Salgado‐Morán(3), Nassima Bachir(3), Peter Politzer(2), Jane S. Murray(2), Monica C. Concha(2), César Barrales‐Martínez(2), Rafael Islas(2), Joel Valenzuela(1), Patricia Pérez(1), A. Michálková(1), O. A. Zhikol(1), Leonid Gorb(1), Олег В. Шишкин(1), Danuta Leszczyńska(1)