2019

  Electronic and optical properties of doped TiO2 by many-body perturbation theory

 

Michael O. Atambo, Daniele Varsano, Andrea Ferretti, S. Samaneh Ataei, Marilia J. Caldas, Elisa Molinari and Annabella Selloni. 

Physical Review Materials3, 045401 (2019).

[DOI]

  Tailoring optical properties and stimulated emission in nanostructured polythiophene

 

Alberto Portone, Lucia Ganzer, Federico Branchi, Rodrigo Ramos, Marília J. Caldas, Dario Pisignano, Elisa Molinari, Giulio Cerullo, Luana Persano, Deborah Prezzi, Tersilla Virgili.

Scientific Reports 9, 7370 (2019).

[DOI]

 

Theoretical UV-Vis spectra of tetracationic porphyrin: effects of  environment on electronic spectral properties

Eduardo Diaz Suarez, Filipe Camargo Dalmatti Alves Lima, Patricia Moura Dias,  Vera R. L. Constantino and Helena Maria Petrilli

Journal of Molecular Modeling, 25, 264-1-264-10 (2019)

[DOI]

 

DNA binding, cytotoxic effects and probable targets of an 
oxindolimine-vanadyl complex as an antitumor agent

Bruno Soares Dario, Francisco Fernandes Neto, Marcelo Cecconi Pontes, Rodrigo Boni Fazzi, Daniel Rodrigues da Silva, Erica J. Peterson, Nicholas Patrick Farrell, Silvia Castelli, Alessandro Desideri, Philippe Alexandre Divina Petersen, Helena Maria Petrilli and Ana Maria da Costa Ferreira

New Journal of Chemistry, 43, 17831-17840 (2019)

[DOI]

 

Monitoring LaMnO3 Jahn-Teller distortion via electric-field gradient 
ab-initio calculations

Armandina M. L. Lopes, Ricardo C. Teixeira, Ricardo P. Moreira, Helena M. Petrilli, Lucy V. C. Assali and João Pedro Araujo

Electronic Structure1, 045001-1-045001-11 (2019)

[DOI]