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Maria Soledad Paulina Gutiérrez Oliva

Profesor Asociado

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

Quimica Teórica y Computacional. Estudio Mecanístico de Reacciones de interés en Astroquímica. Fisico Química; Estudio Teórico de Reactividad Química

Química, UNIVERSIDAD DE CHILE. Chile, 2004
Química, UNIVERSIDAD DE CHILE. Chile, 1997

Profesor Full Time

Centro de Bioinformátca y Simulación Molecular

Talca, Chile

2004 - 2005

1. Silvia Díaz Acosta
Título de la Tesis: Estudio Teórico del Mecanismo de Formación de Amino Acetonitrilo como Precursor Directo del Aminoácido Glicina en el Medio Interestelar.
Grado Académico: Licenciado en Química, Facultad de Química, Pontificia Universidad Católica de Chile. Enero de 2011

2. Valentina Gandolfo Standen
Título de la Tesis: Estudio Teórico de Transferencias Protónicas en las Bases del ADN. Grado Académico: Licenciado en Química, Facultad de Química, Pontificia Universidad Católica de Chile. Septiembre de 2015

3. Silvia Díaz Acosta
Título de la Tesis: Formación de Aminoácidos en el Medio Interestelar. Perspectiva Teórica Grado Académico: Doctor en Ciencias Exactas con Mención en Química Facultad de Química, Pontificia Universidad Católica de Chile. Terminada 2015

4. Daniela Guzmán Ángel
Título de la Tesis: Materiales Porosos para la Separación, Almacenamiento y Conversión de Gases de Efecto Invernadero Grado Académico: Doctor en Ciencias Exactas con Mención en Química Facultad de Química, Pontificia Universidad Católica de Chile. Iniciada Primer Semestre de 2015

5. César Barrales Martínez
Título de la Tesis: Rol Catalítico de Superficies de Carbono y Silicatos en la Formación de Moléculas en el Medio Interestelar Grado Académico: Doctor en Ciencias Exactas con Mención en Química Facultad de Química, Pontificia Universidad Católica de Chile. Iniciada Primer Semestre de 2016

6. Francisca Cid Mora
Título de la Tesis: Estudio Teórico de la Formación de Metanamina como Precursor de Glicina en el Medio Interestelar: Rol catalítico del H2O-hielo Grado Académico: Licenciado en Química, Facultad de Química, Pontificia Universidad Católica de Chile. Iniciada Segundo Semestre de 2017

PREMIO TESIS DE DOCTORADO ACADEMIA CHILENA DE CIENCIAS

ACADEMIA CHILENA DE CIENCIAS

Chile, 2007

El "Premio de doctorado Academia Chilena de Ciencias" surgió en 1997 y se entrega todos los años con el propósito de incentivar a los estudiantes de doctorado en ciencias en sus respectivos campos de investigación. Pueden postular a él estudiantes nacionales y extranjeros, entre quienes se premia la mejor tesis de doctorado en los Programas de Doctorado en Ciencias Exactas o Naturales del país acreditados por la Comisión Nacional de Acreditación y Postgrados, CONAP.


Hydrogenation and hydration of carbon dioxide: a detailed characterization of the reaction mechanisms based on the reaction force and reaction electronic flux analyses Guzman-Angel, D; Gutierrez-Oliva, S; Toro-Labbe, A. Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2019)
Molecular hydrogen formation in the interstellar medium: The role of polycyclic aromatic hydrocarbons analysed by the reaction force and activation strain model Barrales-MartÃnez C.; CortÃ©s-Arriagada D.; GutiÃ©rrez-Oliva S. Article ISI SCOPUS Monthly Notices of the Royal Astronomical Society (2018)
Study of antiradical mechanisms with dihydroxybenzenes using reaction force and reaction electronic flux Ortega-Moo, Cristina; Durán, Rocio; Herrera, Bárbara; Gutiérrez-Oliva, Soledad; Toro-Labbé, Alejandro; Vargas, Rubicelia Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
The Role of Co-Activation and Ligand Functionalization in Neutral Methallyl Nickel(II) Catalysts for Ethylene Oligomerization and Polymerization Ortega, Daniela E.; Cortés-Arriagada, Diego; Trofymchuk, Oleksandra S.; Yepes, Diana; Gutiérrez-Oliva, Soledad; Rojas, René S.; Toro-Labbé, Alejandro Article ISI SCOPUS CHEMISTRY-A EUROPEAN JOURNAL (2017)
Why Low Valent Lead(II) Hydride Complex Would be a Better Catalyst for CO2 Activation than Its 14 Group Analogues? Villegas-Escobar, Nery; Ortega, Daniela E.; Cortés-Arriagada, Diego; Durán, Rocío; Yepes, Diana; Gutiérrez-Oliva, Soledad; Toro-Labbé, Alejandro Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Role of Water in Intramolecular Proton Transfer Reactions of Formamide and Thioformamide Guzmán-Angel, Daniela, Inostroza-Rivera, Ricardo, Gutiérrez- Oliva, Soledad, Herrera, Bárbara, Toro-Labbé, Alejandro Article Theoretical Chemical Accounts (2016)
Symmetry-adapted reaction electronic flux in cycloaddition reactions Villegas-Escobar, Nery; Vogt-Geisse, Stefan; Gutiérrez-Oliva, Soledad; Toro-Labbé, Alejandro Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2016)
A detailed analysis of the mechanism of a carbocationic triple shift rearrangement Daniela E. Ortega, Soledad Gutiérrez-Oliva, Jean J. Tantillo and Alejandro Toro-Labbé Article Phys. Chem. Chem. Phys. (2015)
Catalytic Mechanism of H-2 Activation by a Carbenoid Aluminum Complex Villegas-Escobar, N; Gutierrez-Oliva, S; Toro-Labbe, A Article ISI SCOPUS Journal of Physical Chemistry C (2015)
Effects of the Ionization in the Tautomerism of Uracil: A Reaction Electronic Flux Perspective Lamsabhi, AM; Gutierrez-Oliva, S; Mó O.; Toro-Labbe, A; Yañez M. Article ISI SCOPUS Journal of Computational Chemistry (2015)
Insights into the chemical meanings of the reaction electronic flux Morell C.; Tognetti, V; Bignon, E; Dumont, E; Hernandez-Haro, N; Herrera, B.; Grand A.; Gutierrez-Oliva, S; Joubert, L; Toro-Labbe, A; Chermette, H Article ISI SCOPUS Theoretical Chemistry Accounts (2015)
The performance of methallyl nickel complexes and boron adducts in the catalytic activation of ethylene: a conceptual DFT perspective Trofymchuk, OS; Ortega, DE; Gutierrez-Oliva, S; Rojas, RS; Toro-Labbe, A Article ISI SCOPUS Journal of Molecular Modeling (2015)
Revisiting the Seemingly Straightforward Hydrogen Cyanide/Hydrogen Isocyanide Isomerization Gutiérrez-Oliva, Soledad, Díaz, Silvia, Toro-Labbé, Alejandro, Lane Pat, Murray, Jane S., Politzer, Peter Article MOLECULAR PHYSICS (2014)
The mechanism of chemisorption of hydrogen atom on graphene: Insights from the reaction force and reaction electronic flux Diego Cortés-Arriagada, Soledad Gutiérrez-Oliva, Bárbara Herrera, Karla Soto, and Alejandro Toro-Labbé Article The Journal of Chemical Physics (2014)
A Relation Between Different Scales of Electrophilicity: Are the Scales Consistent along a Chemical Reaction? Christophe Morell, Barbara Herrera, Soledad Gutierrez-Oliva, Maria-Luisa Ceron, Andre Grand and Alejandro Toro-Labbe Article Journal of Physical Chemistry A (2012)
Elucidating the Catalytic Role of Mg(II) in the Intramolecular Proton Transfer Reaction in Thymine Stefan Vogt-Geisse,Soledad Gutierrez-Oliva, Barbara Herrera, and Alejandro Toro-Labbe Article Journal of the Mexican Chemical Society (2012)
Electropolymerization of 3',4'-disubstituted 2,2':5',2''-terthiophene derivatives. A theoretical and photovoltaic characterization Jorge H. Vélez, Soledad Gutiérrez-Oliva, Fernando R. Díaz, Maria Angelica del Valle, Alejandro Toro-Labbé, Jean C. Bernède, Gastón A. East Article Journal of Molecular Modeling (2011)
Enhanced Reactivity of Lys182 Explains the Limited Efficacy of Biogenic Amines Inpreventing the Inactivation of Glucose-6-phosphate Dehydrogenase by Methylglyoxal Patricio Flores-Morales, Claudio Diema, Marta Vilaseca, Joan Estelrich, F. Javier Luque, Soledad Gutierrez-Oliva, Alejandro Toro-Labbe, Eduardo Silva Article Bioorganic & Medicinal Chemistry (2011)
The Reaction Electronic Flux in Chemical Reactions Maria Luisa Ceron, Eleonora Echegaray, Soledad Gutierrez-Oliva, Barbara Herrera and A. Toro-Labbe Article Science China (2011)
Theoretical Study of the Hydrogen Abstraction from Vitamin-E Analogues. The Usefulness of DFT Descriptors Soledad Gutierrez-Oliva Article Journal of Molecular Modeling (2011)
Identification of Pseudodiatomic Behavior in Polyatomic Bond Dissociation: Reaction Force Analysis Jane S. Murray, Alejandro Toro-Labbe, Soledad Gutierrez-Oliva and Peter Politzer Article Journal of Chemical Physics (2010)
The reaction electronic flux: A new descriptor of the electronic activity taking place during a chemica l reaction. Application to the characterization of the mechanism of the Schiff´s base formation in the Maillard reaction Patricio Flores-Morales, Soledad Gutierrez-Oliva, Eduardo Silva, Alejandro Toro- Labbe Article Journal of Molecular Structure: THEOCHEM (2010)
Insights on the Maillard Reaction. The Mechanism of the Schiff Base Formation from the Reaction Force Perspective Patricio Flores-Morales, Soledad Gutierrez-Oliva, Eduardo Silva, Alejandro Toro-Labbe Article Molecular Physics (2009)
Reaction Force Analysis of Solvent Effects in the Addition of HCl to Propene Jaroslav V. Burda, Jane S. Murray, Alejandro Toro-Labbe, Soledad Gutierrez-Oliva, Peter Politzer Article Journal of Physical Chemistry A (2009)
Reversibility from DFT-Based Reactivity Indices: Intramolecular Side Reactions in the Polymerization of Poly(vinylchloride) Freija De Vleeschouwer, Alejandro Toro-Labbe, Soledad Gutierrez- Oliva, Karen Van Cauter, Veronique Van Speybroeck, Michel Waroquier, Paul Geerlings, Frank De Proft Article Journal of Physical Chemistry A (2009)
The Mechanism of Double Proton Transfer in Dimers of Uracil and 2-Thiouracil. The Reaction Force Perspective Al Mokhtar Lamsabhi, Otilia Mo, Soledad Gutierrez-Oliva, Patricia Perez, Alejandro Toro-Labbe, Manuel Yanez Article Journal of Computational Chemistry (2009)
The Reaction Force and the Transition Region of a Reaction Alejandro Toro-Labbe, Soledad Gutierrez-Oliva, Jane S. Murray, Peter Politzer. Article Journal of Molecular Modelling (2009)
Theoretical Study on a Multicenter Model Based on Different Metal Oxidation States for the Bis(imino)pyridine Iron Catalysts in Ethylene Polymerization Victor L. Cruz, Javier Ramos, Javier Martinez-Salazar, Soledad Gutierrez- Oliva, and Alejandro Toro-Labbe Article Organometallics (2009)
On the Nature of the Active Site in bis(imino)Pyridyl Iron, a Catalyst for Olefin Polymerization Jorge Martinez, Victor Cruz, Javier Ramos, Soledad Gutierrez-Oliva, Javier Martinez-Salazar and Alejandro Toro-Labbe Article Journal of Physical Chemistry C (2008)
Rationalization of Diels-Alder Reactions Through the Use of the Dual Reactivity Descriptor ?f(r) C. Morell, P.W. Ayers, S. Gutierrez-Oliva, A. Toro-Labbe Article Physical Chemistry Chemical Physics (2008)
A new perspective on chemical and physical processes: the reaction force Toro-Labbe A.; Gutierrerez-Oliva, S; Murray, JS; Politzer P. Article MOLECULAR PHYSICS (2007)
Multiphilic descriptor for chemical reactivity and selectivity Padmanabhan, J; Parthasarathi, R; Elango, M; Subramanian, V; Krishnamoorthy, BS; Gutierrez-Oliva, S; Toro-Labbe, A; Roy, DR; Chattaraj, PK Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2007)
QSAR model for ethylene polymerisation catalysed by supported bis(imino)pyridine iron complexes Cruz, VL; Martinez, J.; Martinez-Salazar, J; Ramos, J; Reyes, ML; Toro-Labbe, A; Gutierrez-Giliva, S Article ISI SCOPUS POLYMER (2007)
Bridging the gap between the topological and orbital description of hydrogen bonding: The case of the formic acid dimer and its sulfur derivatives Gutierrez-Oliva, S; Joubert, L; Adamo, C; Bulat, FA; ZAGAL, JH; Toro-Labbe, A Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2006)
On the Mechanism of Hydrogen Transfer in the HSCH(O) ⇌ (S)CHOH and HSNO ⇌ SNOH Reactions Gutiérrez-Oliva, Soledad; Herrera, Bárbara; Toro-Labbé, Alejandro; Chermette, Henry Article SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2005)
The reaction force: Three key points along an intrinsic reaction coordinate Politzer, P; Toro-Labbe, A; Gutierrez-Oliva, S; Herrera, B.; Jaque, P; Concha, MC; Murray, JS Article ISI SCOPUS Journal of Chemical Sciences (2005)
Analysis of two intramolecular proton transfer processes in terms of the reaction force Toro-Labbe, A; Gutierrez-Oliva, S; Concha, MC; Murray, JS; Politzer, P Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2004)
The torsional problem of oxalyl chloride: a challenge for theoretical methods Gutierrez-Oliva, S; Toro-Labbe, A Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2004)
Towards understanding the molecular internal rotations and vibrations and chemical reactions through the profiles of reactivity and selectivity indices: an ab initio SCF and DFT study Chattaraj, PK; Gutierrez-Oliva, S; Jaque, P; Toro-Labbe, A Article ISI SCOPUS MOLECULAR PHYSICS (2003)
Using Sanderson’s Principle to Estimate Global Electronic Properties and Bond Energies of Hydrogen Bonded Complexes Gutiérrez–Oliva, Soledad, Jaque, Pablo, Toro-Labbé, Alejandro Article JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Energy, Chemical Potential and Hardness Profiles for the Rotational Isomerization of HOOH, HSOH and HSSH Gutiérrez–Oliva, Soledad, Letelier, Jorge Ricardo, Toro–Labbé, Alejandro Article MOLECULAR PHYSICS (1999)
Relations Between Potential Energy, Electronic Chemical Potential and Hardness Profiles Cárdenas–Jirón, Gloria I., Gutiérrez–Oliva, Soledad, Melin, Junia, Toro–Labbé, Alejandro Article JOURNAL OF PHYSICAL CHEMISTRY (1997)


Mechanism of Chemical Reactions in Four Concepts Cerón, María Luisa; Gutiérrez-Oliva, Soledad; Herrera, Bárbara; Toro- Labbé, Alejandro; Pratim Kumar Chattaraj; Swapan K. Ghosh BookSection (2013)
Perspectives on Reaction Force Politzer P, Toro-Labbé, A., Gutiérrez-Oliva, S., Murray, J.S.; John R. Sabin and Erkki J. Br ?andas BookSection (2012)
The Reaction Force: A Rigorously- Defined Approach to Analyse Chemical and Physical Process Toro-Labbé, Alejandro, Gutiérrez-Oliva, S., Politzer,P., and Murray, J.S.; Pratim Kumar Chattaraj BookSection (2009)
Using the Reactivity-Selectivity Descriptor f(r) in Organic Chemistry Morell, Christophe, Grand, André, Gutiérrez-Oliva, Soledad, Toro-Labbé, Alejandro; Toro-Labbé, Alejandro BookSection (2007)
Characterization of Chemical Reactions Through Classical Concepts and DFT Descriptors Gutiérrez-Oliva, Soledad, Jaque, Pablo, and Toro–Labbé, Alejandro; Sen, K.D. BookSection (2002)


Química Primero Medio Toro-Labbé, Alejandro, Gutiérrez-Oliva, Soledad; Zig-Zag BookWhole (2001)
Química Segundo Medio Toro-Labbé, Alejandro, Gutiérrez-Oliva, Soledad; Zig-Zag BookWhole (2001)


Reaction force decomposition of activation barriers to elucidate solvent effects Burda, JV; Toro-Labbe, A; Gutierrez-Oliva, S; Murray, JS; Politzer, P Letter ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2007)


The Mechanism of Hydrogenation Reactions of Amino Acids Precursors in the Interstellar Medium Gutiérrez-Oliva, Soledad; Toro-Labbé, Alejandro Proyecto (2014)
Millenium Nucleus Chemical Processes and Catalysis. CPC Toro-Labbé, Alejandro; Gutiérrez-Oliva, Soledad Proyecto (2013)
Mecanismo de Reacciones Químicas Mediante el Uso de DT Conceptual. Toro-Labbé, Alejandro; Gutiérrez-Oliva, Soledad Proyecto (2012)
Can be Glycine be Formed in the Interstellar Medium? Gutiérrez-Oliva, Soledad; Toro-Labbé, Alejandro Proyecto (2010)
Toward a Theory of Chemical Reactions and Reaction Dynamics. Toro-Labbé, Alejandro; Gutiérrez-Oliva, Soledad Proyecto (2010)
Using the Reaction Electronic Flux Descriptor to Characterize the Mechanism of Chemical Reactions. Toro-Labbé, Alejandro; Gutiérrez-Oliva, Soledad Proyecto (2009)
Theoretical Study of the Mechanism of Hydrogen Transfer in Antioxidant Reactions Gutiérrez-Oliva, Soledad Proyecto (2007)
Análisis de la Relación Estructura-Actividad Mediante Descriptores Mecano- Cuánticos Aplicado a la Catáisis Homogénea para Polimerización de Olefinas. Toro-Labbé, Alejandro; Gutiérrez-Oliva, Soledad Proyecto (2006)
Caracterización de Estructuras y Reactividades de Sistemas de Interés en Catálisis Homogénea Yáñez, Manuel; Gutiérrez-Oliva, Soledad, Toro-Labbé, Alejandro Proyecto (2006)
Characterization of Chemical Reactions and Molecular Structure Through the Use of Density Functional Theory Based Descriptors Toro-Labbé, Alejandro; Gutiérrez-Oliva, Soledad Proyecto (2006)
FUERZA DE REACCION: UNA NUEVA PERSPECTIVA PARA CARACTERIZAR MECANISMOS DE REACCIONES QUIMICAS Toro-Labbé, Alejandro; Gutiérrez-Oliva, Soledad Proyecto (2006)
Estudios de Reacciones Químicas en Química Biológica y Química Ambiental Gutiérrez-Oliva, Soledad Proyecto (2005)
Formulación y Aplicaciones de Indices de Reacción y de Reactividad Química Toro-Labbé, Alejandro; Gutiérrez-Oliva, Soledad Proyecto (2002)
Núcleo Milenio de Mecánica Cuántica Aplicada y Química Computacional. Pérez, Patricia; Gutiérrez-Oliva, Soledad Proyecto (2002)
Análisis de Reacciones Químicas en el Espacio {μ,h,V} Gutiérrez-Oliva, Soledad Proyecto (2001)
Determinación Teórica de Perfiles de Reacción. Caracterización de Mecanismos y Reactividad Química. Toro-Labbé, Alejandro; Gutiérrez-Oliva, Soledad Proyecto (1999)
Theory of Chemical Reactions in the {μ, h, V } Space Toro-Labbé, Alejandro; Gutiérrez-Oliva, Soledad Proyecto (1999)
Centro para la Investigación Interdisciplinaria Avanzada en Ciencia de los Materiales (CIMAT) Lund, Fernando; Gutiérrez-Oliva, Soledad, Toro-Labbé, Alejandro Proyecto (0)