Alvim, R. S.; Vaiss, V. S.; Leitão, A. A.; Borges JR., I.
Theoretical Chemistry at the Service of the Chemical Defense: Degradation of Nerve Agents in Magnesium Oxide and Hydroxide Surface
Revista Virtual de Química, v. 6, p. 678-723, 2014.
Alvim, R. S.; Vaiss, V. S.; Borges JR., I; Leitão, A. A.
Hydrolysis of a VX-Like Organophosphorus Compound Through Dissociative Chemisorption a the MgO(001) Surface
Journal of Physical Chemistry. C, v. 117(40), p. 20791–20801, 2013.
Vaiss, V. S.; Borges JR., I.; Wypych, F.; Leitão, A. A.
Formation reaction mechanisms of hydroxide anions from Mg(OH)2 layers
Chemical Physics v. 418 p. 1-7, 2013.
Alvim, R. S.; Borges JR., I.; Costa, D. G.; Leitão, A. A.
Density-Functional Theory Simulation of the Dissociative Chemisorption of Water Molecules on the MgO(001) Surface
Journal of Physical Chemistry. C, v. 116, p. 738-744, 2012.
Vaiss, V. S.; Borges, I.; Leitão, A. A.
Sarin Degradation Using Brucite
The Journal of Physical Chemistry C. , v. 115, p. 24937-24944, 2011.
Vaiss, V. S.; Berg, R. A.; Ferreira, A. R.; Borges JR., I.; Leitão, A. A.
Theoretical Study of the Reaction between HF Molecules and Hydroxyl Layers of Mg(OH)
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory, v. 113, p. 6494-6499, 2009.