Our computational research is focused on calculating electronically excited states of chromophores with the purpose of reinforcing and explaining experimental results. DFT and TD-DFT are our prinicpal levels of theory for our quantum chemistry research methods. These types of incursions permit us to understand phenomena like resonant energy transfer (RET), isomerization and hydrodynamic reorientation of molecules.

Learn more about our work:

1. Bisindole Caulerpin Analogues as Nature-Inspired Photoresponsive Molecules. Luis Gutiérrez-Arzaluz, Fatima López-Salazar, Bernardo Salcido-Santacruz, Beatriz Gonzalez-Cano, Rafael López-Arteaga, Rubén O. Torres-Ochoa, Nuria Esturau-Escofet, Fernando Cortés-Guzmán, Roberto Martinez and Jorge Peon*. J. Mater. Chem. C, 2020,8, 6680-6688.DOI: 10.1039/c9tc05889c
2. Origin of Photoinduced Geometrical Change of Copper (I) Complexes from the Quantum Chemical Topology View. Luis Gutierrez-Arzaluz, David Ignacio Ramírez-Palma, Lillian G Ramírez-Palma, José Enrique Barquera-Lozada, Jorge Peón, and Fernando Cortes-Guzman. Chem.Eur.J., 2019,25,775 –784. DOI: 10.1002/chem.201804596
3. Evolution of electron density towards the conical intersection of a nucleic acid purine. Luis Gutiérrez-Arzaluz, David Ramírez-Palma, Frida Buitrón-Cabrera, Tomás Rocha-Rinza, Fernando Cortés-Guzmán, Jorge Peón. Chemical Physics Letters, 683, 2017, 425-430. DOI: 10.1016/j.cplett.2017.03.021