2020 papers

It’s been a while since the last update and since then we had some papers published/accepted for publication.

  1. Dias Vicentini, E.; de Lima Batista, A. P.; Sampaio de Oliveira-Filho, A. G. Computational Mechanistic Investigation of the Fe + CO 2 → FeO + CO Reaction. Phys. Chem. Chem. Phys. 2020, 19. https://doi.org/10.1039/D0CP00479K.

  2. Cicolani, R. S.; de Oliveira-Filho, A. G. S.; de L. Batista, A. P.; Demets, G. J.-F. Formation of the Non-Classical Interhalide Anion [I 2 Cl] − in Methyl-Bambus[6]Uril Cavity. New J. Chem. 2020, 44 (7), 2697–2700. https://doi.org/10.1039/C9NJ05352B.

  3. Mateus, D. B. G.; da Silva Souza, S.; de Bacchi Silva, R. J.; de Lima Batista, A. P.; Salviato Cicolani, R.; Murie, V. E.; Nishimura, R. H.; Clososki, G. C.; de Oliveira Filho, A. G. S.; Demets, G. J.-F.; et al. Assessment of the Electronic Structure of a Triruthenium Acetate-Pyridylnaphthalimide Cluster. J. Photochem. Photobiol. A Chem. 2020, 391 (January), 112361. https://doi.org/10.1016/j.jphotochem.2020.112361.

  4. de Lima Batista, A. P.; de Oliveira-Filho, A. G. S.; Braga, A. A. C. Probing N-Heterocyclic Olefin as Ancillary Ligand in Scandium-Mediated CO2 to CO Conversion. Theor. Chem. Acc. 2020, 139 (3), 42. https://doi.org/10.1007/s00214-019-2528-9.

  5. Torquato, L. D. M.; Pastrian, F. A. C.; Perini, J. A. L.; Irikura, K.; de L. Batista, A. P.; de Oliveira-Filho, A. G. S.; Córdoba de Torresi, S. I.; Zanoni, M. V. B. Relation between the Nature of the Surface Facets and the Reactivity of Cu2O Nanostructures Anchored on TiO2NT@PDA Electrodes in the Photoelectrocatalytic Conversion of CO2 to Methanol. Appl. Catal. B Environ. 2020, 261 (September 2019), 118221. https://doi.org/10.1016/j.apcatb.2019.118221.

  6. Orenha, R. P.; Silva, G. C. G.; de Lima Batista, A. P.; de Oliveira Filho, A. G. S.; Morgon, N. H.; da Silva, V. B.; Furtado, S. S. P.; Caramori, G. F.; Piotrowski, M. J.; Parreira, R. L. T. Tracking the Role of Trans -Ligands in Ruthenium–NO Bond Lability: Computational Insight. New J. Chem. 2020. https://doi.org/10.1039/D0NJ01340D.

  7. Machado, F. B. C.; Aquino, A. J. A.; de Oliveira-Filho, A. G. S. Preface. Theor. Chem. Acc. 2020, 139 (3), 69. https://doi.org/10.1007/s00214-020-2579-y.

First, congratulations to Eduardo, the first graduate student in our group, for his work published in PCCP!

And thanks to all the collaborators on these other papers.