Department of Physical Chemistry

Researcher
Address: Circuito Exterior s/n, Ciudad Universitaria. District Coyoacán. ZIP Code 04510 Mexico City. Mexico

Telephone: +52 (55) 56 22 44 20
Fax: +52 (55) 56 16 22 17

ACADEMIC SUMMARY

Dr. Cortes received his BSc. and MSc. in Chemistry (Organic Chemistry) from the School of Chemistry, UNAM. He made doctoral studies under the supervision of Dr. Gabriel E. Cuevas González Bravo, at the Graduate Program in Chemical Sciences, UNAM. He obtained a postdoctoral position at Prof. Richard F. W. Bader’s group, McMaster University, Ontario, Canada.

RESEARCH TOPICS

Dr. Cortes research focuses on electronic density within the subject of computational chemistry.

His current research involves three topics:

• Studies on the bond, reactivity and selectivity of organometallic systems.
• Study of the organic and organometallic reaction mechanism.
• Development of descriptors for QSAR studies.

TEACHING ACTIVITIES

Thesis supervision:

Supervision on theses for B. Sc.: 6

Supervision on theses for M. Sc. 3

Dr. Fernando Cortes welcomes students interested in computational chemistry projects. Some students’ grants are available.

Dr. Cortes lecturers on Quantum Chemistry and Design and Reactivity, at the School of Chemistry, University of the State of Mexico. He also gives the courses: Introduction to Stereochemistry, Computational Chemistry and Molecules in Atoms Theory, at the Graduate Program in Chemistry, UNAM.

AWARDS AND HONORS

Member of the National System of Research, level 1.

RECENT PUBLICATIONS

• Molecular Recognition between DNA and Copper-Based Anticancer Complexes. Galindo-Murillo, Rodrigo; Ruiz, Lena; Moreno-Esparza, Rafael; Cortes-Guzman, Fernando.  Phys. Chem. Chem. Phys., 2012, 14, 15539-15546.
• Preparation of Telluro- and Selenoalumoxanes under Mild Conditions. Sandra González-Gallardo, Vojtech Jancik, Fernando Cortés-Guzmán, and Mónica Moya-Cabrera.2013, Inorg. Chem., 2013, 52, 2793–2795.
• Dynamic molecular graphs: hopping structures. Fernando Cortes-Guzman, Jose Manuel Guevara, Tomas Rocha, Gabriel Cuevas, Rosa Maria Gomez. Chemistry - A European Journal, 2014, 20, 5665-5672.
• Properties of atoms in electronically excited molecules within the formalism of TDDFT. Eric I. Sánchez-Flores, Rodrigo Chávez-Calvillo, Tood A. Keith, Gabriel Cuevas, Tomás, Rocha-Rinza, Fernando Cortés-Guzmán.Journal of Computational Chemistry 2014, 35, 820–828.
• Electronic properties of Cu (II) antineoplastic compounds. Experimental and theoretical study. Juan Carlos García-Ramos, Araceli Tovar-Tovar, Marcos Flores-Alamo, Virginia Gómez-Vidales, Rodrigo Galindo, Luis Antonio Ortiz-Frade, Fernando Cortes-Guzmán, Rafael Moreno-Esparza Lena Ruiz-Azuara, Antonio Campero-Celis. Chemistry - A European Journal, 2014, acepted.

• Where to draw the line in defining a molecular structure. Bader, R.F.W.; Matta, C.F; Cortés-Guzmán, F. Organometallics, 23(26): p. 6253-6263, 2004.
• Role of functional groups in linear regression analysis of molecular properties. Cortes-Guzman, F. and R.F.W. Bader, Journal of Physical Organic Chemistry, 17(2): p. 95-99, 2004.
• Complementarity of QTAIM and MO theory in the study of bonding in donor-acceptor complexes. Cortés-Guzman, F. and R.F.W. Bader, Coordination Chemistry Reviews, 249(5-6): p. 633-662, 2005.
• Forces in molecules. Hernández-Trujillo, J.; Cortés-Guzmán, F.; De-Chai. F.; Bader, R.F.W., Faraday Discussions, 135:p 79-96, 2007.
• Chemical Bonding: From Lewis to Atoms in Molecules.Bader, R.F.W.; Hernández-Trujillo, J.; Cortés-Guzmán F. Journal of Computational Chemistry, 28:p 4-14, 2007.
• “Applications of the Quantum Theory of Atoms in Molecules in Organic Chemistry: Charge Distribution, Conformational Analysis and Molecular Interactions” Hernández-Trujillo, J.; Cortés-Guzmán, F.; Cuevas, G. En "The Quantum Theory of Atoms in Molecules. From Solid State to DNA and Drug Design", Matta, C. y Boyd, R. Editores. Wiley-VCH, 2007. ISBN-10: 3-527-30748-6. ISBN-13: 978-3-527-30748-7.
• Structural evolution: mechanism of olefine insertion in hydroformylation reaction. Salinas-Olvera, J.; Gómez, R.; Cortes-Guzman, F. Journal of Physical Chemistry A, 112, 2906-2912, 2008.
• Energy additivity in branched and cyclic hydrocarbons. Gao H. W., Bader R. F. W and Cortés-Guzmán, F. Canadian Journal of Chemistry. 87, 1583–1592, 2009.
• The virial field and transferability in DNA base-pairing. Bader, R. F. W.; Cortés-Guzmán, F.; En " Quantum Biochemistry: Electronic Structure and Biological Activity ", Matta, C. Editor. Wiley-VCH, 2009.
• Application of the additivity of group energies to understand conformational preference: the Anomeric Effect. Cortés-Guzmán F., Hernández-Trujillo J., and Cuevas G. Physical Chemistry Chemical Physics. 2010, 12, 13261-13265
• π-Stacking between Casiopeinas® and DNA Bases. Galindo-Murillo R., Hernandez-Lima J., González-Rendón M., Cortés-Guzmán F., Ruíz-Azuara L., Moreno-Esparza R. Physical Chemistry Chemical Physics 2011, 13 (32), 14510 - 14515
• VSCC evolution: a tool to investigate the transformations within a Valence Shell Charge Concentration throughout a chemical reaction. Cortés-Guzmán F., Gómez F., Rocha T., Sánchez-Obregón M. A., Guevara-Vela, J. Journal Physical Chemistry A 2011, 115, 12924-12932.
• Theoretical Study of the Smiles Rearrangement in the activation mechanism of Proton Pump Inhibitors. Reyes-González J., Gómez R. M, Cortés-Guzmán F. Journal of Physical Organic Chemistry 2012, 25, 230-238. DOI: 10.1002/poc.1896.