Información general

Gutiérrez O., María Soledad
Profesor Asociado

Doctor en Química.
Universidad de Chile

Perfil en ORCID

Líneas de Investigación

Áreas o Líneas de Investigación:
Química teórica computacional.

Investigación actual:
In the last years we have been interested in characterizing mechanisms, thermodynamic and kinetics aspects of chemical reactions through the adequate methodological elements that are provided by the Reaction Force analysis that partition the reaction coordinate in regions where different reaction mechanism may take place.

Docencia

QIM100  Química General
QIM100I Química General I
QIM150  Química Física
QIM116  Química Fisica III

Proyectos

Unveiling Astrochemical Processes Involving Polycyclic Aromatic Hydrocarbons.
Investigador Responsable.
Fondecyt Regular 1201617, ANID.

The Mechanism of Hydrogenation Reactions of Amino Acids Precursors in the Interstellar Medium
Investigador Responsable. 
Fondecyt Regular 1141098, ANID.

Can be Glycine be Formed in the Interstellar Medium?
Investigador Responsable.
Fondecyt Regular 1100881, ANID.
 

Publicaciones

The Influence of the Metal Cations and Microhydration on the Reaction Trajectory of the N3 <-> O2 Thymine Proton Transfer: Quantum Mechanical Study
Šebesta, F., Mateusz, Z. B., Díaz, S., Miranda, S., Murray, J., Gutiérrez-Oliva, S., Toro‐Labbé, A., Michalak, A., Burda, J.
Journal of Computational Chemistry (2017). 

Spectral Decomposition of the Reaction Force Constant Published as part of The Journal of Physical Chemistry virtual special issue “Paul Geerlings Festschrift”. 
Urcelay, F., Toro-Labbe, A., Gutie rrez-Oliva, S.
The Journal of Physical Chemistry A (2020).

The mechanism of chemisorption of hydrogen atom on graphene: Insights from the reaction force and reaction electronic flux.
Cortés-Arriagada, D., Gutiérrez-Oliva, S., Herrera, B., Soto, B., Toro-Labbé, A.
The Journal of Chemical Physics (2014).

Molecular hydrogen formation in the interstellar medium: the role of polycyclic aromatic hydrocarbons analysed by the reaction force and activation strain model.
Barrales-Martínez, C., Cortés-Arriagada, D., Gutiérrez-Oliva, S.
Monthly Notices of the Royal Astronomical Society (2018).

The effect of heteroatoms in carbonaceous surfaces: computational analysis of H chemisorption on to a PANH and Si-doped PAH.
Barrales–Martínez, C., Gutiérrez Oliva, S.
Monthly Notices of the Royal Astronomical Society (2019).
 

Premios y Distinciones

Premio de Tesis de Doctorado “ACADEMIA CHILENA DE CIENCIAS 2007”.

Análisis de Reacciones Químicas en el Espacio {h,m,E}.