Marcus V. J. Rocha

Construction and Assessment of Reaction Models of Class I EPSP Synthase: Molecular Docking and Density Functional Theoretical Calculations

Teodorico C. Ramalho, Melissa S. Caetano, Elaine F. F. da Cunha et al. · Journal of Biomolecular Structure and Dynamics · 2009 · 79 citations

Nanostructured δ-FeOOH: a novel photocatalyst for water splitting

Márcio C. Pereira, Eric M. Garcia, Adilson C. Silva et al. · Journal of Materials Chemistry · 2011 · 76 citations

Materials Science, Chemical Engineering, High Surface Area +13

Orbital Signatures as a Descriptor of Regioselectivity and Chemical Reactivity: The Role of the Frontier Orbitals on 1,3-Dipolar Cycloadditions

Felipe A. La Porta, Teodorico C. Ramalho, Régis T. Santiago et al. · The Journal of Physical Chemistry A · 2011 · 65 citations

Chemical Bonds, Engineering, Heterocyclic +15

Understanding the Molecular Behavior of Organotin Compounds to Design their Effective Use as Agrochemicals: Exploration via Quantum Chemistry and Experiments

Teodorico C. Ramalho, Marcus V. J. Rocha, Elaine F. F. da Cunha et al. · Journal of Biomolecular Structure and Dynamics · 2010 · 44 citations

CO2 and H2 adsorption on 3D nitrogen-doped porous graphene: Experimental and theoretical studies

Thiago C. dos Santos, Rafael C. Mancera, Marcus V. J. Rocha et al. · Journal of CO2 Utilization · 2021 · 38 citations

Materials Science, Chemical Engineering, Engineering +7