Guilherme de Lima

All papers authored by Guilherme de Lima

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2021 Walber Gonçalves Guimarães, Guilherme Ferreira de Lima

, Hélio Anderson Duarte

Comparative DFT study of the oxy(hydr)oxides of iron and aluminum – structural, electronic and surface properties.

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2020 Walber Gonçalves Guimarães, Guilherme Ferreira de Lima

Investigating greenhouse gas adsorption in MOFs SIFSIX-2-Cu, SIFSIX-2-Cu-i, and SIFSIX-3-Cu through computational studies

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2018 Guilherme Ferreira de Lima

, Hélio Anderson Duarte

, Lars G. M. Pettersson

X-ray Absorption Near-Edge Spectroscopy Calculations on Pristine and Modified Chalcopyrite Surfaces

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2017 Aline de Oliveira

, Andreas Mavrandonakis

, Guilherme F. de Lima

, Heitor A. De Abreu

Cyanosilylation of Aldehydes Catalyzed by MIL-101(Cr): A Theoretical Investigation

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Fabíola S. dos Santos, Gleiston G. Dias, Rossimiriam P. de Freitas, Lucas S. Santos, Guilherme F. de Lima

, Hélio A. Duarte, Carlos A. de Simone, Lidia M. S. L. Rezende, Monique J. X. Vianna, José R. Correa

, Brenno A. D. Neto, Eufrânio N. da Silva Júnior

Redox Center Modification of Lapachones towards the Synthesis of Nitrogen Heterocycles as Selective Fluorescent Mitochondrial Imaging Probes

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Fernando Steffler

, Guilherme Ferreira de Lima

, Hélio Anderson Duarte

Polyoxomolybdate formation – A thermodynamic analysis from density functional/PCM calculations

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2016 Talita B. Gontijo, Rossimiriam P. de Freitas, Guilherme F. de Lima

, Lucas C. D. de Rezende, Leandro F. Pedrosa

, Thaissa L. Silva, Marilia O. F. Goulart, Bruno C. Cavalcanti, Claudia Pessoa, Marina P. Bruno, José R. Corrêa

, Flavio S. Emery, Eufrânio N. da Silva Júnior

Novel fluorescent lapachone-based BODIPY: synthesis, computational and electrochemical aspects, and subcellular localisation of a potent antitumour hybrid quinone

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2013 Guilherme F. de Lima

, Andreas Mavrandonakis, Heitor A. de Abreu, Hélio A. Duarte, Thomas Heine

Mechanism of Alcohol–Water Separation in Metal–Organic Frameworks

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2012 Guilherme Ferreira de Lima

, Cláudio de Oliveira, Heitor Avelino de Abreu, Hélio Anderson Duarte

Sulfuric and hydrochloric acid adsorption on the reconstructed sulfur terminated (001) chalcopyrite surface

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Cláudio de Oliveira, Guilherme Ferreira de Lima

, Heitor Avelino de Abreu, Hélio Anderson Duarte

Reconstruction of the Chalcopyrite Surfaces—A DFT Study

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Ivana Lula, Frederico B. De Sousa

, Ângelo M. L. Denadai, Guilherme Ferreira de Lima

, Hélio Anderson Duarte, Thiago R. dos Mares Guia, Adelaide Faljoni-Alario, Marcelo M. Santoro, Antônio C. M. de Camargo, Robson A. S. dos Santos, Rubén D. Sinisterra

Interaction between bradykinin potentiating nonapeptide (BPP9a) and β-cyclodextrin: A structural and thermodynamic study

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2011 Guilherme Ferreira de Lima

, Josefredo R. Pliego, Helio Anderson Duarte

Stability of hydroxylamine isomers in aqueous solution: Ab initio study using continuum, cluster-continuum and Shells Theory of Solvation

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Guilherme Ferreira de Lima

, Cláudio de Oliveira, Heitor Avelino de Abreu, Hélio Anderson Duarte

Water Adsorption on the Reconstructed (001) Chalcopyrite Surfaces

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2010 Guilherme Ferreira de Lima

, Hélio Anderson Duarte, Jr. Josefredo R. Pliego

Dynamical Discrete/Continuum Linear Response Shells Theory of Solvation Convergence Test for NH4+ and OH- Ions in Water Solution Using DFT and DFTB Methods

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2008 Guilherme F. de Lima, Ilza Dalmazio, Dalmázio,Ilza, Flavia C. C. Moura, Moura,Flávia C. C., Maria H. Araujo, Araújo,Maria H., Alves,Tânia M. A., Tania M. A. Alves, Rochel M. Lago, Lago,Rochel M., Lima,Guilherme F. De, G. F. De Lima

, Guilherme F. de Lima, Duarte,Hélio A. and 3 other authors

The iodide-catalyzed decomposition of hydrogen peroxide: mechanistic details of an old reaction as revealed by electrospray ionization mass spectrometry monitoring

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2007 Ivana Lula, Angelo L. Denadai, Jarbas M. Resende, Frederico B. de Sousa

, Guilherme F. de Lima

, Dorila Pilo-Veloso, Thomas Heine, Hélio A. Duarte, Robson A. S. Santos, Rubén D. Sinisterra

Study of angiotensin-(1-7) vasoactive peptide and its β-cyclodextrin inclusion complexes: Complete sequence-specific NMR assignments and structural studies

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Guilherme Ferreira de Lima

, Thomas Heine, Hélio A. Duarte

Structure and Dynamics of Angiotensin (1-7) Vasoactive Peptide in Aqueous Solution at the Density-Functional Based Tight-Binding Level

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All papers authored by Guilherme de Lima