Dr. Tomás Rocha Rinza


Department of Physical Chemistry


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

Telephone: (52) ( 55) 56-22-47-70 Ext. 46611





Dr. Rocha received his Bachelor’s degree from the School of Chemistry at the National Autonomous University of Mexico UNAM, defending the thesis entitled “Study of the topological properties of the electronic density of water clusters”.

He obtained his PhD. in Chemistry from the UNAM, defending the thesis “Topology of the electronic density in bimolecular benzene complexes in the basal state and the first singlet excited state”.

Postdoctoral Position. Chromophore studies of photoreceptor proteins. Institute of Chemistry Arhus University, Denmark.


  • Electronic spectroscopy of linear response calculations of chromophore of photoreceptor proteins.
  • Non-covalent interactions in basal and excited states.



Assistant lecturer. Course “Chemical bonds, spectroscopic fundaments, and calculation of functions of several variables”, School of Chemistry, UNAM.

Lecturer. Physics 1, School of Chemistry, UNAM.

Lecturer. Structure of matter, School of Chemistry, UNAM.


Students interested in my supervision for undergraduate or graduate theses, on the above mentioned projects are welcome.


Bronze medal during the XXIX and XXX International Chemistry Olympics, Montreal, Canada, from July 13th to 22nd, 1997, and in Melbourne, Australia, from July 5th to 14th, 1998.

Silver medal, at the III Iberoamericana Olympic Games in Chemistry, Rio de Janeiro, Brazil, October 19th to 26th, 1997.

Gabino Barreda medal, awarded for his undergraduate studies, by UNAM.

Member of the National Research System.


T. Rocha-Rinza, O. Christiansen, D. B. Rahbek, B. Klærke, L. H. Andersen, K. Lincke, M. B. Nielsen “Spectroscopic Implications of the Electron Donor-Acceptor Effect in the Photoactive Yellow Protein”Chem. Eur. J. 16 11977 (2010).


T. Rocha-Rinza, K. Sneskov, O. Christiansen, U. Ryde and J. Kongsted “Unraveling the similarity of the photoabsorption of the deprotonated p-coumaric acid in gas phase and within the photoactive yellow protein” Phys. Chem. Chem. Phys. 13 1585 (2011). 


V. Freyre-Fonseca, F. J. Valdés-Parada, H. Robles-López, T. Rocha-Rinza “The role of cell geometry over transport and reaction processes” Chem. Eng. Trans. 24 955 (2011).


M. B. Nielsen, L. H. Andersen, T. Rocha-Rinza “Absorption Tuning of the Green Fluores- cent Protein Chromophore: synthesis and studies on Model Compounds” Monats. Chem. 142 709 (2011).


M. García-Revilla and T. Rocha-Rinza “Application of electron delocalization indicators in the study of aromatic electrophilic substitution reactions” Curr. Org. Chem. 15, 3627 (2011). Factor de impacto: 3.039, Citas: 0.


F. Cortés-Guzmán, R. M. Gómez, T. Rocha-Rinza, M. A. Sánchez-Obregón and J. M. Guevara-Vela “VSCC evolution: a tool to investigate the transformation within a Valence Shell Charge Concentration throughout a chemical reaction”. J. Phys. Chem. A 115, 12924 (2011)


N. H. List, J. M. Olsen, T. Rocha-Rinza, O. Christiansen, J. Kongsted “Performance of popular xc-functionals for the description of excitation energies in GFP-like chromophore models” Int. J. Quantum Chem. 112, 789 (2012). 


J. M. Guevara-Vela, R. Chávez-Calvillo, M. García-Revilla, J. Hernández-Trujillo, O. Christiansen, E. Francisco, A. Martín Pendás, T. Rocha-Rinza “Hydrogen bond coope- rative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach” Chem. Eur. J. 19, 14304, (2013).


F. Cortes-Guzmán, T. Rocha-Rinza, J.-M. Guevara-Vela, G. Cuevas, R. M. Gomez Dynamic molecular graphs: \hopping" structures". Aceptado para su publicacion en Chem. Eur. J. DOI: 10.1002/chem.201303287.


E. I. Sanchez-Flores, R. Chavez-Calvillo, T. A. Keith, G. Cuevas, T. Rocha-Rinza, F. Cortes-Guzman Properties of atoms in electronically excited molecules within the formalism of TDDFT" Aceptado para su publicacion en J. Comput. Chem. DOI: 10.1002/jcc.23559.


Made in Mexico, all rights reserved 2009 - 2012. This page can be reproduced for non-profit purposes, with the proviso that it cannot be altered, and that it quotes the complete source and electronic address. Otherwise it requires prior written permission from the institution. Dr. Tomás Rocha Rinza.
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