Soledad Gutiérrez‐Oliva

Pontificia Universidad Católica de Chile — Chile

Physics and Astronomy · Physical Sciences

26h-index2.2kcitations73works1.52yr avg
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Research Topics

Advanced Chemical Physics Studies(32), Spectroscopy and Quantum Chemical Studies(19), Molecular Junctions and Nanostructures(15), Organic Chemistry Cycloaddition Reactions(13), Free Radicals and Antioxidants(11)

Publications73 total

Correction to: Computational study of the supramolecular complexation of azocompounds with cucurbit[7]uril: effects on the production and release of free radicals
Journal of Molecular Modeling·2024Open Access
Computational study of the supramolecular complexation of azocompounds with cucurbit[7]uril: effects on the production and release of free radicals
Journal of Molecular Modeling·2024· 1 cited
Effect of the cyano group in the HAVA mechanism for PAHs formation: A reaction force analysis for the reaction between benzonitrile (<i>C</i>6<i>H</i>5<i>CN</i>) and vinylacetylene.
Monthly Notices of the Royal Astronomical Society·2024Open Access
Correspondence between the reaction force minimum and the onset of abrupt variations of the kinetic and potential energies in bond dissociation and formation
Journal of Molecular Modeling·2024· 2 cited
Basis Electronic Activity of Molecular Systems. A Theory of Bond Reactivity
The Journal of Physical Chemistry A·2024· 5 cited
Complexes between 2,2′-azobis(2-methylpropionamidine) dihydrochloride (AAPH) and cucurbit[<i>n</i>]uril hosts modulate the yield and fate of photolytically-generated AAPH radicals
RSC Advances·2024· 1 citedOpen Access
Complexation of AAPH (2,2′-azobis(2-methylpropionamidine) dihydrochloride) with cucurbit[7]uril enhances the yield of AAPH-derived radicals
Journal of Molecular Liquids·2023· 4 cited
Digging on the mechanism of some Diels–Alder reactions: the role of the reaction electronic flux
Theoretical Chemistry Accounts·2023· 2 cited
Digging on the Mechanism of Some Diels-Alder Reactions. The Role of the Reaction Electronic Flux
Research Square (Research Square)·2023Open Access
On the Mechanisms of Chemical Reactions
2022· 9 cited
Unveiling the Mysterious Mechanisms of Chemical Reactions
2021· 5 cited
Interacting Quantum Atoms Analysis of the Reaction Force: A Tool to Analyze Driving and Retarding Forces in Chemical Reactions
ChemPhysChem·2021· 16 cited
<scp>Diels‐Alder</scp> reaction mechanisms of substituted chiral anthracene: A theoretical study based on the reaction force and reaction electronic flux
Journal of Computational Chemistry·2020· 19 cited
Spectral Decomposition of the Reaction Force Constant
The Journal of Physical Chemistry A·2020· 10 cited
Theoretical study of glycine amino acid adsorption on graphene oxide
Journal of Molecular Modeling·2020· 12 cited
The effect of heteroatoms in carbonaceous surfaces: computational analysis of H chemisorption on to a PANH and Si-doped PAH
Monthly Notices of the Royal Astronomical Society·2019· 10 cited
Hydrogenation and hydration of carbon dioxide: a detailed characterization of the reaction mechanisms based on the reaction force and reaction electronic flux analyses
Journal of Molecular Modeling·2019· 18 cited
Molecular hydrogen formation in the interstellar medium: the role of polycyclic aromatic hydrocarbons analysed by the reaction force and activation strain model
Monthly Notices of the Royal Astronomical Society·2018· 18 cited
An extension of the Marcus equation: the Marcus potential energy function
Journal of Molecular Modeling·2018· 13 cited
Reaction Electronic Flux Perspective on the Mechanism of the Zimmerman Di-π-methane Rearrangement
The Journal of Organic Chemistry·2018· 16 cited
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Frequent Co-authors

Alejandro Toro‐Labbé(48), Bárbara Herrera(10), Jane S. Murray(9), Peter Politzer(9), Nery Villegas‐Escobar(7), Diego Cortés‐Arriagada(5), Christophe Morell(4), André Grand(4), Daniela E. Ortega(4), Pablo Jaque(3), Víctor L. Cruz(3), Javier Ramos(3), Javier Martínez‐Salazar(3), Daniela Guzmán-Angel(3), César Barrales‐Martínez(3), Pratim Kumar Chattaraj(2), Monica C. Concha(2), Henry Chermette(2), Jaroslav V. Burda(2), S.F. Diaz(2)