Dr Cristina A. Barboza


Research Associate


Al. Lotnikow 32/46
02-668 Warszawa Poland


+(48-22) 843-66-01 (after connection dial 3214)




Ab intio calculations for aromatic molecules. Photophysics of molecules;


19. Duarte, L.G.T.A., Germino, J.C., Berbigier, J.F., Barboza, C.A., Faleiros, M.M., Simoni, D.A., Holanda, M.S., Rodembusch, F.S., Atvars, T.D.Z., "White-Light Generation on All-solution-processed OLEDs using a benzothiazole-salophen derivative reactive to the ESIPT process", Phys. Chem. Chem. Phys., 21 (2019) 1172.

18. Mendes, R.A., Almeida, S.K.C., Soares, I.N., Barboza, C.A., Freitas, R.G., Brown, A., Souza, G.L.C., "Evaluation of the antioxidant potential of myricetin 3-O-?-L-rhamnopyranoside and myricetin 4’-O-?-L-rhamnopyranoside through a computational study", J. Molec. Model., 24 (2019) 133.

17. Drzewiecka-Antonik, A., Ferenc, W., Wolska, A., Kepkla, M., Barboza, C.A., Cristóv?o, B., Osypiuk, D., Sarzyñski, J., Grosicka-Maciag, E., Tarasiuk, B., Kurpios-Piec, D., Struga M., "Structural characterization and cytotoxic evaluation of Cu(II), Co(II) and Ni(II) complexes with herbicide 4-chloro-2-methylphenoxyacetic acid", Polyhedron , 165 (2019) 86.

16. Klepka, M.T., Kalinowska, D., Barboza, C.A., Drzewiecka-Antonik, A., Ostrowska, K., Wolska, A., "Photoacidity of the N-Salycilidene-5-Chloroaminopyridine", Radiation Physics and Chemistry, (2018) in press.

15. Barboza, C.A., Sobolewski, A.L., "An ab initio study on the photophysics of tris(salicylideneaniline)", Phys. Chem. Chem. Phys., 20 (2018) 25164.

14. Barboza, C.A., Bast, R., Barboza, E., MacLeod-Carey, D., Arratia-Perez, R., "Magnetically Induced Current Density using London Atomic Orbitals of Dihydroindeno- [1,2-b]-Fluorenes", New J. Chem., 42 (2018) 15648.

13. Duarte, L.G.T.A., Germino, J.C., De A. Braga, C., Barboza, C.A., Atvars, T.D.Z., Santos, F. Da S., Rodembusch, F.S., "Photoacidity as a Tool to Rationalize Excited State Intramolecular Proton Transfer Reactivity in Flavonols", Photochem. Photobiol. Sci., 17 (2018) 231.

12. Mendes, R.A., Almeida, S.K.C., Soares, I. N., Barboza, C.A., Freitas, R.G., Brown, A., De Souza, G.L.C., "A computational investigation on the antioxidant potential of myricetin 3, 4?-di-O-?-L-rhamnopyranoside", J. Mol. Model., 24 (2018) 133.

11. Mendes, R.A., Fazolo, B.R., Germino, J.C., Ferraro, F., Santana, A.M., Ramos, R.J. de Souza, G.L.C., Freitas, R.G., Vazquez P.A.M., Barboza, C.A., "Electronic and Magnetic Properties of the [Ni(salophen)] Complex: An Experimental and DFT Study", J. Adv. Res., 9 (2018) 27.

10. Barboza, C.A., Germino, J. C., Duarte,L.G.T.A., Quites, F.J., Vazquez, P.A.M., Atvars, T.D.Z, "Photoacidity of the N-Salycilidene-5-Chloroaminopyridine", J. Luminescence, 184 (2017) 268.

9. Vivas, M.G., Germino, J.C., Barboza,C.A., Simoni, D.A., Vazquez, P. A. M., De Boni, L., Atvars, T.D.Z., Mendonça, C.R., "Revealing the Dynamic of Excited State Proton Transfer of a ?-conjugated Salicylidene compound: an Experimental and Theoretical Study", J. Phys. Chem. C, 121 (2017) 1283.

8. Vivas, M.G., Germino, J.C., Barboza, C.A., Vazquez, P.A.M., De Boni, L., Atvars, T.D.Z., Mendonça, C.R., "Excited State and Two-Photon Absorption in Salicylidene Molecules: The Role of Zn(II) Planarization,", J. Phys. Chem. C, 120 (2016) 4032.

7. Germino, J.C., Barboza, C.A., Quites,F.J., Vazquez, P.A.M., Atvars,T.D.Z., "Dual Emissions of Salicylidene-5-Chloroaminepyridine due to Excited State Intramolecular Proton Transfer: Dynamic Photophysical and Theoretical Studies", J. Phys. Chem. C, 119 (2015) 27666.

6. Barboza, C.A., Germino, J.C., Santana, A.M., Quites, F.J., Vazquez, P.A.M., Atvars, T.D.Z., "Structural Correlations between Luminescent Properties and Excited State Internal Proton Transfer in Some Zinc (II) N, N?-Bis (salicylidenes)", J. Phys. Chem. C, 119 (2015) 6152.

5. Barboza, C.A., Carey, D.M.-L., Arratia-Perez, R., "Theoretical Study of 3,3 Substitution of 9,9,9’,9’-Tetramethyl-Fluorene Dimers", Chem. Phys. Let., 538 (2012) 60.

4. Ferraro, F., Barboza, C.A., Arratia-Perez, R., "A Relativistic Study of the Electronic and Magnetic Properties of Cerocene and its Anions", J. Phys. Chem. A, 116 (2012) 4170-4175.

3. Barboza, C.A., Vazquez, P.A.M., Carey, D.M.-L., Arratia-Perez, R., "A TDDFT Basis Set and Functional Assessment for the Calculation of Electronic Excitation Energies of Fluorene", Int. J. Quantum Chem., 112 (2012) 3434.

2. Barboza, C.A., Barboza, E., Carey, D.M.-L., Arratia-Perez, R., "Methylation and the system-size effect over the structural, electronic, magnetic (NICS) and reactive properties of pentalene derivatives", Chem. Phys. Let., 545 (2012) 84.

1. Cárdenas-Jirón, G.I., Barboza, C.A., López, R., Menéndez, M.I., "Theoretical study on the electronic excitations of a porphyrin-polypiridyl ruthenium(II) photosensitizer", J. Phys. Chem. A 115 (2011) 11988.