Polaron properties in 2D organic molecular crystals: directional dependence of non-local electron–phonon coupling.

Autor: Junior, Marcelo Lopes Pereira, de Sousa Júnior, Rafael Timóteo, Neto, Bernhard Georg Enders, e Silva, Geraldo Magela, Junior, Luiz Antonio Ribeiro

Publikováno v: Journal of Molecular Modeling; Jun2019, Vol. 25 Issue 6, pN.PAG-N.PAG, 1p

Optical properties of P3HT and N2200 polymers: a performance study of an optimally tuned DFT functional.

Autor: Leal LA; Department of Electrical Engineering, University of Brasília, CP04455, Brasília, DF, CEP 70919-970, Brazil. luciano.leal89@gmail.com., de Sousa LE; Institute of Physics, University of Brasília, 70.919-970, Brasília, Brazil., de Brito PP; Department of Electrical Engineering, University of Brasília, CP04455, Brasília, DF, CEP 70919-970, Brazil., Neto BGE; Institute of Physics, University of Brasília, 70.919-970, Brasília, Brazil., Ceschin AM; Department of Electrical Engineering, University of Brasília, CP04455, Brasília, DF, CEP 70919-970, Brazil., da Cunha WF; Institute of Physics, University of Brasília, 70.919-970, Brasília, Brazil., Ribeiro LA Jr; Institute of Physics, University of Brasília, 70.919-970, Brasília, Brazil., Silva Filho DAD; Institute of Physics, University of Brasília, 70.919-970, Brasília, Brazil.

Publikováno v: Journal of molecular modeling [J Mol Model] 2017 Dec 28; Vol. 24 (1), pp. 32. Date of Electronic Publication: 2017 Dec 28.