Tiago Alves Group

Computational Chemist

[Tiago Alves Group @tvinialves]

Check out our recent work on @JPhysChem "Macrocyclic Copper(II) Electrocatalysts for Water Oxidation: Catalytic Mechanism and Activity of Pyridine-Embedded Complexes" https://t.co/31F1qTvOSQ

[Tiago Alves Group @tvinialves]

Check out our new paper "Origins of Nitrite and Nitrate Selectivity in Aqueous Electrocatalytic Ammonia Oxidation by a Mononuclear Copper Catalyst" on Inorganic Chemistry https://t.co/WMrdf4J7PI

[Tiago Alves Group @tvinialves]

Thrilled to share our latest work: Electrochemical Water Oxidation Mechanisms Involving Macrocyclic Copper(II) Complexes: Ligand Ring Size Effects on Catalytic Cycles - Neves - ChemPhysChem - Wiley Online Library @nanogrupo https://t.co/GrpZoxYBjA

[Tiago Alves Group @tvinialves]

@eriandevermore Eu gostei. Comentários respeitosos e pontuais.

[DFT2026 Donostia/San Sebastián @dft2026eus]

The 21st International Conference on Density Functional Theory and its Applications will take place in Donostia (Spain) from Aug 23–27, 2026. Save the dates! 🔬✨ https://t.co/7iimmusXo0 #DFT2026
Check out the lineup of speakers:

[Tiago Alves Group @tvinialves]

Check out our new paper "Theoretical Screening of the Water Oxidation Electrocatalytic Cycle Promoted by Single-Site Macrocyclic Copper(II) Complexes: Unraveling the Role of the HPO42– Anion under Neutral Conditions" on ACS Organic & Inorganic Au https://t.co/qujtwdkogr

[Núcleo Mulheres SBQ @SbqMulheres]

Prêmio Loreal
As inscrições para a edição de 2025 estarão abertas até 11 de junho!
https://t.co/6hD3eodlxh

[Tiago Alves Group @tvinialves]

Check out our recent paper titled "Gas-phase and water-mediated mechanisms for the OCS + OH reaction" now published in Physical Chemistry Chemical Physics https://t.co/G8s7RF7v2W

[Tiago Alves Group @tvinialves]

Dear colleagues, my X account was hacked recently, and inappropriate content was posted. As of today, I have regained access to this account.

[Tiago Alves Group @tvinialves]

Caros colegas, minha conta foi invadida recentemente. Conteúdos inapropriados foram postados. A partir de hoje, recuperei o acesso a esta conta.

[Bruno sampaio @samp_bruno]

New paper published with @tvinialves entitled “Theoretical and Experimental Insights into the Chemiresistive Sensing Response of Graphene Quantum Dots: The Role of Oxygen Functional Groups” - ACS Omega https://t.co/DWvz58Sm2w

[Programa de Pós-Graduação em Química @PPGQuim_UFBA]

Joel L. Nascimento é doutorando em nosso (PPGQuim) e atualmente está realizando um estágio no CiQUS - Center for Research in Biological Chemistry and Molecular Materials, da Universidade de Santiago de Compostela (USC), na Espanha, por meio do Programa (PDSE).

[Bruno sampaio @samp_bruno]

Check out our new paper "Evaluating interaction energy versus electron density relationships (...)", by M.H. Queiroz, Suelen A. Santos, @joelleitao1998, @tvinialves and R. Rivelino! https://t.co/1ebbs13X1N

[Bruno sampaio @samp_bruno]

Check out our new paper, entitled "Relative Humidity and Altitude Effects on the Water-Mediated Hydrogen Abstraction Reaction of Furan by the Hydroxyl Radical | ACS Earth and Space Chemistry", with @tvinialves, @joelleitao1998, M.H.Queiroz and R.Rivelino
https://t.co/EYhk0dgSFx

[Tiago Alves Group @tvinialves]

Check out our recent paper titled Path-dependent thermal rate constants: The case of the combustion reaction between methyl hexanoate and hydrogen atom published in Comput. Theor. Chem. >> https://t.co/6tPEuQ8N9o

[André @andreqmc]

Nosso trabalho publicado no Journal of Molecular Liquids. 🤩🚀🍾 @tvinialves

https://t.co/qCOkzqc1KJ

Artigo do @PPGQuim_UFBA e da @ufba

[Programa de Pós-Graduação em Química @PPGQuim_UFBA]

O PGQUIM parabeniza os professores Tiago Alves e e Valéria Riatto pelas indicações da @sbquimica

[SBQ @sbquimica]

Hoje, celebramos a química. É em nome dela que investimos todo o nosso trabalho, nosso conhecimento e nossa esperança. Parabéns a todos os químicos e químicas brasileiras(os), especialmente àquelas(es) que acreditam em uma Sociedade Química forte!

[Tiago Alves Group @tvinialves]

Exciting news! Our latest paper, just published in @ChemPhysChem, demonstrates that the temperature and pressure conditions can control the reaction products/adducts of prenol oxidation by OH radicals. https://t.co/5paxobtxAr @joelleitao1998 @PPGQuim_UFBA

[Tiago Alves Group @tvinialves]

Take a look at our recent work about the photochemistry of 1,3-cyclopentadiene and its cyano derivatives bound to a water dimer on Spectrochimica Acta Part A: Molecular and Biomolecular by Murillo, Suelen and @samp_bruno > https://t.co/xtDebzcxW0