{"id":332,"date":"2020-07-08T16:04:14","date_gmt":"2020-07-08T19:04:14","guid":{"rendered":"http:\/\/sites.usp.br\/compuspeckin\/?p=332"},"modified":"2020-07-08T16:04:14","modified_gmt":"2020-07-08T19:04:14","slug":"2020-papers","status":"publish","type":"post","link":"https:\/\/sites.usp.br\/compuspeckin\/2020-papers\/","title":{"rendered":"2020 papers"},"content":{"rendered":"

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

    \n
  1. Dias Vicentini, E.; de Lima Batista, A. P.; Sampaio de Oliveira-Filho, A. G. Computational Mechanistic Investigation of the Fe + CO 2 \u2192 FeO + CO Reaction. Phys. Chem. Chem. Phys. 2020, 19. https:\/\/doi.org\/10.1039\/D0CP00479K<\/a>.<\/li>\n

    <\/p>\n

  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] \u2212 in Methyl-Bambus[6]Uril Cavity. New J. Chem. 2020, 44 (7), 2697\u20132700. https:\/\/doi.org\/10.1039\/C9NJ05352B<\/a>.<\/li>\n

    <\/p>\n

  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<\/a>.<\/li>\n

    <\/p>\n

  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<\/a>.<\/li>\n

    <\/p>\n

  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.; C\u00f3rdoba 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<\/a>.<\/li>\n

    <\/p>\n

  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\u2013NO Bond Lability: Computational Insight. New J. Chem. 2020. https:\/\/doi.org\/10.1039\/D0NJ01340D<\/a>.<\/li>\n

    <\/p>\n

  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<\/a>.<\/li>\n

    <\/ol>\n

    First, congratulations to Eduardo, the first graduate student in our group, for his work published in PCCP!<\/p>\n

    And thanks to all the collaborators on these other papers.<\/p>\n","protected":false},"excerpt":{"rendered":"

    It’s been a while since the last update and since then we had some papers published\/accepted for publication. Dias Vicentini, E.; de Lima Batista, A. P.; Sampaio de Oliveira-Filho, A. G. Computational Mechanistic Investigation of the Fe + CO 2 \u2192 FeO + CO Reaction. Phys. Chem. Chem. Phys. 2020, 19. https:\/\/doi.org\/10.1039\/D0CP00479K. Cicolani, R. S.;[…]<\/a><\/p>\n","protected":false},"author":748,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":"","_links_to":"","_links_to_target":""},"categories":[9],"tags":[],"class_list":["post-332","post","type-post","status-publish","format-standard","hentry","category-news"],"_links":{"self":[{"href":"https:\/\/sites.usp.br\/compuspeckin\/wp-json\/wp\/v2\/posts\/332","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/sites.usp.br\/compuspeckin\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/sites.usp.br\/compuspeckin\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/sites.usp.br\/compuspeckin\/wp-json\/wp\/v2\/users\/748"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.usp.br\/compuspeckin\/wp-json\/wp\/v2\/comments?post=332"}],"version-history":[{"count":1,"href":"https:\/\/sites.usp.br\/compuspeckin\/wp-json\/wp\/v2\/posts\/332\/revisions"}],"predecessor-version":[{"id":334,"href":"https:\/\/sites.usp.br\/compuspeckin\/wp-json\/wp\/v2\/posts\/332\/revisions\/334"}],"wp:attachment":[{"href":"https:\/\/sites.usp.br\/compuspeckin\/wp-json\/wp\/v2\/media?parent=332"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/sites.usp.br\/compuspeckin\/wp-json\/wp\/v2\/categories?post=332"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/sites.usp.br\/compuspeckin\/wp-json\/wp\/v2\/tags?post=332"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}