Cabral BJCosta, Rivelino R, Coutinho K, Canuto S.  2015.  A first principles approach to the electronic properties of liquid and supercritical CO2. The Journal of Chemical Physics. 142(2):024504.

Cabral BJCosta, Rivelino R, Coutinho K, Canuto S.  2015.  Probing Lewis Acid–Base Interactions with Born–Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p -Nitroaniline in Supercritical CO ₂. The Journal of Physical Chemistry B. 119(26):8397-8405.

Jaramillo P, Coutinho K, Cabral BJCosta, Canuto S.  2012.  Ionization of chlorophyll-c2 in liquid methanol. Chemical Physics Letters. 546:67-73.

Mateus MPS, Galamba N, Cabral BJCosta, Coutinho K, Canuto S.  2011.  Electronic properties of a methane–water solution. Chemical Physics Letters. 506(4-6):183-189.