André G. H. Barbosa

Unified Mechanistic Concept of Electrophilic Aromatic Nitration:  Convergence of Computational Results and Experimental Data

Pierre M. Esteves, José Walkimar de M. Carneiro, Sheila Pressentin Cardoso et al. · Journal of the American Chemical Society · 2003 · 159 citations

Initiation mechanisms and kinetics of the combustion of cyclopentane and cyclopentene from ReaxFF molecular dynamics

Eric B. Lindgren, João G. S. Monteiro, Anderson Rouge dos Santos et al. · Fuel · 2021 · 34 citations

Reaxff Molecular Dynamics, Initiation Mechanisms, Engineering +8

On the generalized valence bond description of the anomeric and exo-anomeric effects: an ab initio conformational study of 2-methoxytetrahydropyran

Rodrigo S. Bitzer, André G. H. Barbosa, Clarissa O. da Silva et al. · Carbohydrate Research · 2005 · 25 citations

Engineering, Natural Sciences, Chemical Bond +7

iLearnTest – Framework for Educational Games

Ana C. R. Paiva, Nuno Flores, André G. H. Barbosa et al. · Procedia - Social and Behavioral Sciences · 2016 · 24 citations · Full text

Nature of the Chemical Bond in Protonated Methane

Felipe P. Fleming, André G. H. Barbosa, Pierre M. Esteves · The Journal of Physical Chemistry A · 2006 · 23 citations

Chemical Bonds, Engineering, Physics +14