Itamar Borges

The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

Hans Lischka, Ron Shepard, Thomas Müller et al. · The Journal of Chemical Physics · 2020 · 76 citations · Full text

Engineering, Theoretical Inorganic Chemistry, Computational Chemistry +19

Topological Analysis of the Molecular Charge Density and Impact Sensitivy Models of Energetic Molecules

Gilberto Anders, Itamar Borges · The Journal of Physical Chemistry A · 2011 · 69 citations

Engineering, Computational Chemistry, Chemistry +16

<i>Ab Initio</i> Modeling of Excitonic and Charge-Transfer States in Organic Semiconductors: The PTB1/PCBM Low Band Gap System

Itamar Borges, Adélia J. A. Aquino, Andreas Köhn et al. · Journal of the American Chemical Society · 2013 · 64 citations

Charge Excitations, Engineering, Organic Electronics +23

Intermolecular interactions and charge transfer transitions in aromatic hydrocarbon–tetracyanoethylene complexes

Adélia A. J. Aquino, Itamar Borges, Reed Nieman et al. · Physical Chemistry Chemical Physics · 2014 · 52 citations

Density-Functional Theory Simulation of the Dissociative Chemisorption of Water Molecules on the MgO(001) Surface

Raphael da Silva Alvim, Itamar Borges, Deyse G. Costa et al. · The Journal of Physical Chemistry C · 2011 · 48 citations

Clean Mgo, Engineering, Computational Chemistry +19