| 1 |
The Kohn-Sham electronic density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies
Cabral BJC
Chemical Physics Letters, 724, 96, 2019 |
| 2 |
The Kohn-Sham density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies (vol 724, pg 96, 2019)
Cabral BJC
Chemical Physics Letters, 730, 649, 2019 |
| 3 |
Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene
Martins GF, Cabral BJC
Journal of Physical Chemistry A, 123(10), 2091, 2019 |
| 4 |
Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene (vol 123, pg 2091, 2019)
Martins GF, Cabral BJC
Journal of Physical Chemistry A, 123(35), 7672, 2019 |
| 5 |
Electron binding energies and the fundamental gap of a push-pull dye in a polar environment: p-nitroaniline in liquid water
Cabral BJC
Chemical Physics Letters, 667, 332, 2017 |
| 6 |
A First-Principles Approach to the Dynamics and Electronic Properties of p-Nitroaniline in Water
Cabral BJC, Coutinho K, Canuto S
Journal of Physical Chemistry A, 120(22), 3878, 2016 |
| 7 |
Energetics of Radical Formation in Eumelanin Building Blocks: Implications for Understanding Photoprotection Mechanisms in Eumelanin
Agapito F, Cabral BJC
Journal of Physical Chemistry A, 120(50), 10018, 2016 |
| 8 |
Probing Lewis Acid Base Interactions with Born-Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p-Nitroaniline in Supercritical CO2
Cabral BJC, Rivelino R, Coutinho K, Canuto S
Journal of Physical Chemistry B, 119(26), 8397, 2015 |
| 9 |
Free base phthalocyanine: Influence of thermal effects and dimerization on the electronic absorption spectrum
Cabral BJC, Cruzeiro VWD, Coutinho K, Canuto S
Chemical Physics Letters, 595, 97, 2014 |
| 10 |
Dynamics of endo- vs. exo-complexation and electronic absorption of calix[4]arene-Ar-2
Cabral BJC, Coutinho K, Canuto S
Chemical Physics Letters, 612, 266, 2014 |
