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---Career Path--- Nuno Alexandre Guerreiro Bandeira. Completed Doctorate in Chemistry in 2009 at Lisbon University (Instituto Superior Técnico). He is currently Junior Researcher in Faculdade de Ciências. Published 55 articles in journals. Has 1 book(s). Participated in 1 event(s). Participates and/or participated as Principal investigator in 1 project(s) and Researcher in 2 project(s). His scientific background is broadly in the field of computational inorganic and organometallic chemistry, dealing specifically the study of chemical structure and how it relates and interplays with bonding, energetics and reactivity of inorganic molecular and periodic architectures. In the years 2010-2013 he took up postdoctoral positions at the École Normale Superieure de Lyon (France) and the Universitat Rovira i Virgili (Spain) where he learned new computational techniques to deal with transition metal magnetic systems (DDCI, MS-CASPT2). In 2013 he became a Marie Curie post-doctoral research associate at the Institute of Chemical Research of Catalonia (ICIQ), in the group of Prof. Carles Bo working in a research topic entitled 'Computational modelling of compounds with relevance in nanoscience and catalysis'. The main work developed addressed the reactivity of nanometric sized polyoxometalate structures of the type {Mo132}. In 2017 he moved to the Faculty of Science in the University of Lisbon as a postdoc and since 2019 a contracted Junior Research Fellow. ---Record--- His publishing contributions have been mostly on catalysis (sustainable chemistry) and electronic phenomena (photochemistry, magnetism, excited states) by deployment of diverse computational strategies. To date he has been co-author of 52 peer reviewed papers, one review book chapter (Microencapsulation, Innovative Applications, p. 450) and the editor of a book ("Chemical Synergies: From the Lab to In Silico Modelling", https://www.degruyter.com/view/product/473593). According to Clarivate Analytics his most cited research paper is "A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions" ACIE, 2015, 54 (40), 11686 totalling 76 citations. He is currently integrated in a research team of two ongoing portuguese research projects RadonChem (PTDC/QUI-QFI/31896/2017) and NanoBioSolutions (PTDC/QUI-QFI/29236/2017). Over the years he has guided and supervised the work of three researchers contracted under these projects: Frederico Martins (MSc), Ángel Sanchez-Gonzalez (postdoc) and Sandrina Oliveira (postdoc). He has carried out teaching assignments during the 2020/2021 term for 1st year biochemistry students with the course "Fundamentos de Química". His Scopus record reports a Hirsch index of 14 and a total of 550 citations (ResearcherID B-6399-2012; Scopus author ID: 56584029000).
Identificação

Identificação pessoal

Nome completo
Nuno Alexandre Guerreiro Bandeira

Nomes de citação

  • Bandeira, Nuno A. G.

Identificadores de autor

Ciência ID
4A19-ACC3-E225
ORCID iD
0000-0002-5754-7328
Researcher Id
B-6399-2012
Scopus Author Id
56584029000

Websites

Domínios de atuação

  • Ciências Exatas - Química - Química Inorgânica

Idiomas

Idioma Conversação Leitura Escrita Compreensão Peer-review
Inglês Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2)
Português (Idioma materno)
Espanhol; Castelhano Utilizador independente (B2) Utilizador independente (B2) Utilizador independente (B2) Utilizador independente (B2) Utilizador independente (B2)
Francês Utilizador elementar (A2) Utilizador elementar (A2) Utilizador elementar (A2) Utilizador elementar (A2) Utilizador elementar (A2)
Formação
Grau Classificação
2004/01/01 - 2009/06/23
Concluído
Química (Doutoramento)
Especialização em Química Inorgânica Computacional
Universidade de Lisboa Instituto Superior Técnico, Portugal
"Computational Studies of Inorganic Compounds." (TESE/DISSERTAÇÃO)
Percurso profissional

Ciência

Categoria Profissional
Instituição de acolhimento
Empregador
2019/07/01 - Atual Investigador Contratado (Investigação) Universidade de Lisboa Faculdade de Ciências, Portugal
Universidade de Lisboa Instituto de Biossistemas e Ciências Integrativas, Portugal
2016/04/01 - 2019/07/01 Pós-doutorado (Investigação) Universidade de Lisboa Instituto de Biossistemas e Ciências Integrativas, Portugal
2013/10/01 - 2016/03/31 Pós-doutorado (Investigação) Universitat Rovira i Virgili Institut Català d'Investigació Química, Espanha
Projetos

Bolsa

Designação Financiadores
2022/01/01 - 2024/12/31 Valorização de CO2 com metais abundantes: Da bancada para a instalação piloto
PTDC/QUI-QIN/0252/2021
Investigador
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal

Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal

Universidade de Lisboa Instituto de Biossistemas e Ciências Integrativas, Portugal
Fundação para a Ciência e a Tecnologia
Em curso
2018/10/01 - 2022/09/30 RadonChem
PTDC/QUI-QFI/31896/2017
Investigador
Universidade de Lisboa Instituto de Biossistemas e Ciências Integrativas, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2018/09/01 - 2022/08/31 NanoBioSolutions
PTDC/QUI-QFI/29236/2017
Investigador
Universidade de Lisboa Instituto de Biossistemas e Ciências Integrativas, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2019/11/25 - 2020/11/25 SMARTMEM ESR 2
SMARTMEM-ESR2
Investigador responsável
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal
Procter and Gamble Company
Concluído
2016/05/01 - 2019/06/30 Materiais Multifuncionais Híbridos Luminescentes de Spin Lábil
PTDC/QEQ-QIN/3414/2014
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Fundação para a Ciência e a Tecnologia
Concluído

Projeto

Designação Financiadores
2013/02 - 2016/02 Chemistry in Confined Spaces
291787-ICIQ-IPMP
European Commission
2005/10 - 2007/07 Modelling the reactivity of transition metal complexes
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Fundação para a Ciência e a Tecnologia, I.P.
Concluído
Produções

Publicações

Artigo em revista
  1. Maria José Calhorda; Nuno A. G. Bandeira. "Fraústo da Silva e os Complexos de Werner". Boletim da Sociedade Portuguesa de Química (2024): 33. http://dx.doi.org/10.52590/m3.p708.a30002742.
    10.52590/m3.p708.a30002742
  2. Amoiridis, Angelos; Papanikolaou, Michael; Vlasiou, Manolis; Bandeira, Nuno A. G.; Miras, Haralampos N.; Kabanos, Themistoklis; Keramidas, Anastasios. Autor correspondente: Bandeira, Nuno A. G.. "Design and Modulation of Selectivity toward Vanadium(V) and Uranium(VI) Ions: Coordination Properties and Affinity of Hydroxylamino-Triazine Siderophores". Inorganic Chemistry (2023): http://dx.doi.org/10.1021/acs.inorgchem.3c02678.
    Acesso aberto • 10.1021/acs.inorgchem.3c02678
  3. Salvitti, Chiara; Bandeira, Nuno A. G.; Pepi, Federico; de Petris, Giulia; Troiani, Anna. Autor correspondente: Bandeira, Nuno A. G.. "Sulphur Dioxide Oxidation by Zinc and Zinc Oxide Nitrate/Nitrite Complexes in the Gas Phase: An Interplay between Redox-Active Ligands and Metal.". Chemistry – A European Journal (2023): http://dx.doi.org/10.1002/chem.202301221.
    10.1002/chem.202301221
  4. Bandeira, Nuno; Marçalo, Joaquim. "The inert pair effect on the heavy noble gases: Insights from radon tetroxide.". Physical Chemistry Chemical Physics (2023): http://dx.doi.org/10.1039/d3cp01347b.
    No prelo • 10.1039/d3cp01347b
  5. Passadis, Stamatis S.; Hadjithoma, Sofia; Fairbairn, Nicola J.; Hedley, Gordon J.; Bandeira, Nuno A. G.; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.. "Hafnium(IV) Chemistry with Imide-Dioxime and Catecholate-Oxime Ligands: Unique {Hf5} and Metalloaromatic {Hf6}-Oxo Clusters Exhibiting Fluorescence". Inorganic Chemistry (2022): http://dx.doi.org/10.1021/acs.inorgchem.2c01768.
    10.1021/acs.inorgchem.2c01768
  6. Marques, Rafaela T.; Martins, Frederico F.; Bekis, Deniz F.; Vicente, Ana I.; Ferreira, Liliana P.; Gomes, Clara S. B.; Barroso, Sónia; et al. "The Halogen Effect on the Magnetic Behaviour of Dimethylformamide Solvates in [Fe(halide-salEen)2]BPh4". Magnetochemistry 8 12 (2022): 162. http://dx.doi.org/10.3390/magnetochemistry8120162.
    10.3390/magnetochemistry8120162
  7. Oliveira, Sandrina; Bandeira, Nuno A. G.; Leal, João P.; Maria, Leonor; Carretas, José M.; Monteiro, Bernardo; Marçalo, Joaquim. "A new krypton complex - experimental and computational investigation of the krypton sulphur pentafluoride cation, [KrSF5]+, in the gas phase". Physical Chemistry Chemical Physics 24 23 (2022): 14631-14639. http://dx.doi.org/10.1039/d1cp05814b.
    10.1039/d1cp05814b
  8. Ferreira, Patrícia S.; Cerdeira, Ana C.; Cruz, Tiago F. C.; Bandeira, Nuno A. G.; Hunger, David; Allgaier, Alexander; van Slageren, Joris; et al. "Single-ion magnet behaviour in homoleptic Co(II) complexes bearing 2-iminopyrrolyl ligands". Inorganic Chemistry Frontiers 9 17 (2022): 4302-4319. http://dx.doi.org/10.1039/d2qi00601d.
    Publicado • 10.1039/d2qi00601d
  9. Ferreira, Patrícia S.; Malta, José F.; Bandeira, Nuno A. G.; Allgaier, Alexander; van Slageren, Joris; Paixão, José A.; Almeida, Manuel; Pereira, Laura C. J.; Gomes, Pedro T.. "Enhancing SIM behaviour in a mononuclear tetrahedral [Co(N,N'-2-iminopyrrolyl)2] complex". Chemical Communications 58 69 (2022): 9682-9685. http://dx.doi.org/10.1039/d2cc03511a.
    10.1039/d2cc03511a
  10. Maria, Leonor; Bandeira, Nuno A. G.; Joaquim Marçalo; Santos, Isabel C.; Ferreira, Ana S. D.; Ascenso, J.R.. Autor correspondente: Bandeira, Nuno A. G.. "Experimental and Computational Study of a Tetraazamacrocycle Bis(aryloxide) Uranyl Complex and of the Analogues {E-U-NR}2+ (E = O and NR)". Inorganic Chemistry 61 1 (2021): 346-356. http://dx.doi.org/10.1021/acs.inorgchem.1c02934.
    Publicado • 10.1021/acs.inorgchem.1c02934
  11. Ángel Sánchez-González; Nuno A. G. Bandeira; Iker Ortiz de Luzuriaga; Frederico F. Martins; Sawssen Elleuchi; Khaled Jarraya; Jose Lanuza; et al. "New Insights on the Interaction of Phenanthroline Based Ligands and Metal Complexes and Polyoxometalates with Duplex DNA and G-Quadruplexes". Molecules 26 16 (2021): 4737-4737. https://doi.org/10.3390/molecules26164737.
    10.3390/molecules26164737
  12. Martins, Frederico F.; Sánchez-González, Ángel; Lanuza, Jose; Miras, Haralampos N.; Lopez, Xabier; Bandeira, Nuno A.; Gil, Adrià. Autor correspondente: Bandeira, Nuno A.. "Cover Feature: Probing the Catalytically Active Species in POM-Catalysed DNA-Model Hydrolysis (Chem. Eur. J. 35/2021)". Chemistry – A European Journal 27 35 (2021): 8887-8887. http://dx.doi.org/10.1002/chem.202101593.
    10.1002/chem.202101593
  13. Martins, Frederico F.; Ángel Sánchez-González; Jose Lanuza; Haralampos N. Miras; Xabier Lopez; Bandeira, Nuno A. G.; Adrià Gil. Autor correspondente: Bandeira, Nuno A. G.. "Probing the Catalytically Active Species in POM-catalysed DNA-model Hydrolysis". Chemistry A European Journal (2021): https://doi.org/10.1002/chem.202004989.
    10.1002/chem.202004989
  14. Bandeira, Nuno A. G.; Liu, Huizhang; Calhorda, M.J.. "A lacunary tungstomolybdophosphate as an electronic pendulum: The 'blue' electron under examination". The Journal of Chemical Physics 154 12 (2021): 124301-1-124301-14. https://doi.org/10.1063/5.0039092.
    Publicado • 10.1063/5.0039092
  15. Paulo N. Martinho; Frederico F. Martins; Nuno A. G. Bandeira; Maria José Calhorda. "Spin Crossover in 3d Metal Centers Binding Halide-Containing Ligands: Magnetism, Structure and Computational Studies". Sustainability (2020): https://doi.org/10.3390/su12062512.
    10.3390/su12062512
  16. Leonor Maria; Nuno A. G. Bandeira; Joaquim Marçalo; Isabel C. Santos; John K. Gibson. Autor correspondente: Nuno A. G. Bandeira. "CO2 conversion to phenyl isocyanates by uranium(vi) bis(imido) complexes". Chemical Communications 56 3 (2020): 431-434. https://doi.org/10.1039/C9CC07411B.
    10.1039/C9CC07411B
  17. Petrus, E.; Segado, M.; Bandeira, N.A.G.; Bo, C.. "Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide". Inorganic Chemistry 59 12 (2020): 8353-8360. http://www.scopus.com/inward/record.url?eid=2-s2.0-85086523597&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.0c00757
  18. Pirone, D.; Bandeira, N.A.G.; Tylkowski, B.; Boswell, E.; Labeque, R.; Valls, R.G.; Giamberini, M.. "Contrasting photo-switching rates in azobenzene derivatives: How the nature of the substituent plays a role". Polymers 12 5 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85085363282&partnerID=MN8TOARS.
    10.3390/POLYM12051019
  19. James McAllister; Nuno A. G. Bandeira; Jessica C. McGlynn; Alexey Y. Ganin; Yu-Fei Song; Carles Bo; Haralampos N. Miras. Autor correspondente: Nuno A. G. Bandeira. "Tuning and mechanistic insights of metal chalcogenide molecular catalysts for the hydrogen-evolution reaction". Nature Communications (2019): https://doi.org/10.1038/s41467-018-08208-4.
    10.1038/s41467-018-08208-4
  20. Jessica C. McGlynn; Torben Dankwort; Lorenz Kienle; Nuno A. G. Bandeira; James P. Fraser; Emma K. Gibson; Irene Cascallana-Matías; et al. "Author Correction: The rapid electrochemical activation of MoTe2 for the hydrogen evolution reaction". Nature Communications (2019): https://doi.org/10.1038/s41467-019-13337-5.
    10.1038/s41467-019-13337-5
  21. Jessica C. McGlynn; Torben Dankwort; Lorenz Kienle; Nuno A. G. Bandeira; James P. Fraser; Emma K. Gibson; Irene Cascallana-Matías; et al. "The rapid electrochemical activation of MoTe2 for the hydrogen evolution reaction". Nature Communications 10 1 (2019): https://doi.org/10.1038/s41467-019-12831-0.
    10.1038/s41467-019-12831-0
  22. Realista, Sara; Almeida, J. C.; Milheiro, S. A.; Bandeira, Nuno A. G.; Alves, Luis G.; Madeira, F.; Calhorda, M.J.; Martinho, Paulo N.. "Co(II) Cryptates Convert CO2 into CO and CH4 under Visible Light". Chemistry - A European Journal (2019): http://dx.doi.org/10.1002/chem.201901806.
    10.1002/chem.201901806
  23. Marturano, V.; Marcille, H.; Cerruti, P.; Bandeira, Nuno A. G.; Giamberini, M.; Trojanowska, A.; Tylkowski, B.; et al. "Visible-Light Responsive Nanocapsules for Wavelength-Selective Release of Natural Active Agents". ACS Applied Nano Materials (2019): http://dx.doi.org/10.1021/acsanm.9b00882.
    10.1021/acsanm.9b00882
  24. Del Pezzo, R.; Bandeira, Nuno A. G.; Trojanowska, A.; Fernandez Prieto, S.; Underiner, T.; Giamberini, M.; Tylkowski, B.. "Ortho-substituted azobenzene: shedding light on new benefits". Pure and Applied Chemistry (2019): https://doi.org/10.1515/pac-2018-0719.
    10.1515/pac-2018-0719
  25. Bernardo Monteiro; Nuno A. G. Bandeira; Célia Lourenço; Ana F. Lucena; José M. Carretas; John K. Gibson; Joaquim Marçalo. Autor correspondente: Nuno A. G. Bandeira. "Chemical evidence of the stability of praseodymium(v) in gas-phase oxide nitrate complexes". Chemical Communications 55 94 (2019): 14139-14142. https://doi.org/10.1039/C9CC08006F.
    10.1039/C9CC08006F
  26. Marturano, V.; Ambrogi, V.; Bandeira, N.A.G.; Tylkowski, B.; Giamberini, M.; Cerruti, P.. "Modeling of azobenzene-based compounds". Physical Sciences Reviews 2 11 (2019): http://www.scopus.com/inward/record.url?eid=2-s2.0-85062367038&partnerID=MN8TOARS.
    10.1515/psr-2017-0138
  27. Trojanowska, A.; Bandeira, N.A.G.; Nogalska, A.; Marturano, V.; Giamberini, M.; Cerruti, P.; Ambrogi, V.; Tylkowski, B.. "Squeezing release mechanism of encapsulated compounds from photo-sensitive microcapsules". Applied Surface Science 472 (2019): 143-149. http://www.scopus.com/inward/record.url?eid=2-s2.0-85043474035&partnerID=MN8TOARS.
    10.1016/j.apsusc.2018.03.061
  28. Bandeira, Nuno; Bo, Carles. "Regioselective Catalysis by the Mo132 nanocapsule: A computational inspection.". European Journal of Inorganic Chemistry (2018): n/a-n/a. http://dx.doi.org/10.1002/ejic.201800155.
    10.1002/ejic.201800155
  29. Fianchini, M.; Bandeira, N.A.G.. Autor correspondente: Bandeira, N.A.G.. "Are homoleptic complexes of ethylene with group 12 metals isolable in solution? A DFT study". Journal of Molecular Modeling 24 7 (2018): http://www.scopus.com/inward/record.url?eid=2-s2.0-85048697793&partnerID=MN8TOARS.
    10.1007/s00894-018-3683-y
  30. Trojanowska, A.; Marturano, V.; Bandeira, N.A.G.; Giamberini, M.; Tylkowski, B.. "Smart microcapsules for precise delivery systems". Functional Materials Letters 11 5 (2018): http://www.scopus.com/inward/record.url?eid=2-s2.0-85046453269&partnerID=MN8TOARS.
    10.1142/S1793604718500418
  31. Vieira, B.J.C.; Da Gama, V.; Santos, I.C.; Pereira, L.C.J.; Bandeira, N.A.G.; Waerenborgh, J.C.. "Magnetic and structural correlations in [Fe(nsal2trien)] salts: The role of cation-anion interactions in the spin crossover phenomenon". CrystEngComm 20 17 (2018): 2465-2475. http://www.scopus.com/inward/record.url?eid=2-s2.0-85046162062&partnerID=MN8TOARS.
    10.1039/c8ce00275d
  32. Dolores Melgar; Nuno A. G. Bandeira; Carles Bo. "Electronic Structure Studies on the Whole Keplerate Family: Predicting New Members". Chemistry - A European Journal 23 22 (2017): 5338-5344. https://doi.org/10.1002/chem.201605981.
    10.1002/chem.201605981
  33. Guillem Aromi; Joan González-Fabra; Nuno A. G. Bandeira; Veronica Velasco; Leoní A. Barrios; David Aguilà; Simon J. Teat; Olivier Roubeau; Carles Bo. "Thermodynamic Stability of Heterodimetallic [LnLn'] Complexes: Synthesis and DFT Studies". Chemistry - A European Journal (2017): https://doi.org/10.1002%2Fchem.201700095.
    10.1002/chem.201700095
  34. Dolores Melgar; Nuno A. G. Bandeira; Josep Bonet Avalos; Carles Bo; Melgar, D.; Bandeira, N.A.G.; Bonet Avalos, J.; Bo, C.. "Anions coordinating anions: analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands". Physical Chemistry Chemical Physics 19 7 (2017): 5343-5350. https://doi.org/10.1039/C6CP08511C.
    10.1039/C6CP08511C
  35. Bandeira, N. A. G.; Veiros, L. F.; Bo, C.. Autor correspondente: Bandeira, N. A. G.. "Hydrogen Generation via Activation of X-H Bonds in Ammonia and Water by an Mo-I Complex". Chemistryselect 2 34 (2017): 11071-11082. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000417743100018&KeyUID=WOS:000417743100018.
    10.1002/slct.201701801
  36. Bandeira, Nuno A. G.; Sadeghi, O.; Woods, T. J.; Zhang, Yuan-Zhu; Schnack, J.; Dunbar, K.; Nyman, M.; Bo, Carles. Autor correspondente: Bandeira, Nuno A. G.. "Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates". The Journal of Physical Chemistry A 121 6 (2017): 1310-1318. http://dx.doi.org/10.1021/acs.jpca.6b10763.
    10.1021/acs.jpca.6b10763
  37. Guo, W.; Gómez, J.E.; Martínez-Rodríguez, L.; Bandeira, N.A.G.; Bo, C.; Kleij, A.W.. "Metal-Free Synthesis of N-Aryl Amides using Organocatalytic Ring-Opening Aminolysis of Lactones". ChemSusChem 10 9 (2017): 1969-1975. http://www.scopus.com/inward/record.url?eid=2-s2.0-85017506004&partnerID=MN8TOARS.
    10.1002/cssc.201700415
  38. Lucena, A.F.; Bandeira, N.A.G.; Pereira, C.C.L.; Gibson, J.K.; Marçalo, J.; Ana F. Lucena; Nuno A. G. Bandeira; et al. Autor correspondente: Bandeira, N.A.G.. "Synthesis, structure and bonding of actinide disulphide dications in the gas phase". Physical Chemistry Chemical Physics 19 16 (2017): 10685-10694. http://www.scopus.com/inward/record.url?eid=2-s2.0-85019998665&partnerID=MN8TOARS.
    10.1039/c7cp01446e
  39. Ekaterina S. Smirnova; José M. Muñoz Molina; Alice Johnson; Nuno A. G. Bandeira; Carles Bo; Antonio M. Echavarren. "Polynuclear Gold [AuI ]4 , [AuI ]8 , and Bimetallic [AuI 4 AgI ] Complexes: C-H Functionalization of Carbonyl Compounds and Homogeneous Carbonylation of Amines". Angewandte Chemie International Edition 55 26 (2016): 7487-7491. https://doi.org/10.1002%2Fanie.201603200.
    10.1002/anie.201603200
  40. Tylkowski Bartosz; Bandeira, Nuno A. G.; Artur Bogdanowicz Krzysztof; Giamberini Marta. "Smart microcapsules based on photo-isomerizable moieties". Physical Sciences Reviews 1 2 (2016): https://doi.org/10.1515%2Fpsr-2015-0002.
    10.1515/psr-2015-0002
  41. Realista, S.; Fitzpatrick, A. J.; Santos, G.; Ferreira, L. P.; Barroso, S.; Pereira, L. C. J.; Bandeira, N. A. G.; et al. "A Mn(III) single ion magnet with tridentate Schiff-base ligands". Dalton transactions (Cambridge, England : 2003) 45 31 (2016): 12301-7. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=MEDLINE&KeyUT=MEDLINE:27440193&KeyUID=MEDLINE:27440193.
    10.1039/c6dt02538b
  42. Esteves, Catarina V.; Mateus, Pedro; Andre, Vania; Bandeira, Nuno A. G.; Calhorda, Maria Jose; Ferreira, Liliana P.; Delgado, Rita. "Di- versus Trinuclear Copper(II) Cryptate for the Uptake of Dicarboxylate Anions". Inorganic Chemistry 55 14 (2016): 7051-7060. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000380181400031&KeyUID=WOS:000380181400031.
    10.1021/acs.inorgchem.6b00945
  43. Wang, W.; Fullmer, L. B.; Bandeira, N. A. G.; Goberna-Ferron, S.; Zakharov, L. N.; Bo, C.; Keszler, D. A.; Nyman, M.. "Crystallizing Elusive Chromium Polycations". Chem 1 6 (2016): 887-901. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000389801600011&KeyUID=WOS:000389801600011.
    10.1016/j.chempr.2016.11.006
  44. Guo, W.; Joan González-Fabra; Bandeira, Nuno A. G.; Bo, Carles; Kleij, A.W.. "A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions". Angewandte Chemie International Edition 54 40 (2015): 11686-11690. http://onlinelibrary.wiley.com/doi/10.1002/anie.201504956/abstract.
    10.1002/anie.201504956
  45. Bandeira, Nuno; Garai, Somenath; Müller, Achim; Bo, Carles. "Mechanism of CO2 Hydration: Porous Metal Oxide Nanocapsule Catalyst Can Mimic the Biological Carbonic Anhydrase Role". Chemical Communications (2015): http://pubs.rsc.org/en/content/articlelanding/2015/cc/c5cc06423f.
    10.1039/C5CC06423F
  46. Bandeira, Nuno; Tylkowski, B.; Bogdanowicz, Krzysztof Artur ; Giamberini, M.; Bo, Carles. Autor correspondente: Bandeira, Nuno. "An atomistic insight into light-sensitive polymers with methylstilbene building blocks". Polymer International (2015):
    10.1002/pi.4868
  47. Martínez-Rodríguez, L.; Bandeira, Nuno; Bo, Carles; Kleij, A.W.. "Highly Efficient Chirality Transfer from Diamines Encapsulated within a Self-Assembled Calixarene-Salen Host". Chemistry - A European Journal (2015):
    10.1002/chem.201500333
  48. Suaud, N.; López, X.; Ben Amor, N.; Bandeira, N.A.G.; De Graaf, C.; Poblet, J.M.. "Accuracy of embedded fragment calculation for evaluating electron interactions in mixed valence magnetic systems: Study of 2e-reduced lindqvist polyoxometalates". Journal of Chemical Theory and Computation 11 2 (2015): 550-559. http://www.scopus.com/inward/record.url?eid=2-s2.0-84922676445&partnerID=MN8TOARS.
    10.1021/ct5010005
  49. Huertos, M. A.; Cano, Israel; Bandeira, Nuno A. G.; Benet-Buchholz, J.; Bo, Carles; van Leeuwen, Pwnm. "Cover Picture: Phosphinothiolates as Ligands for Polyhydrido Copper Nanoclusters (Chem. Eur. J. 49/2014)". Chemistry - A European Journal (2014):
    10.1002/chem.201490202
  50. Huertos, M. A.; Cano, I.; Bandeira, N. A. G.; Benet-Buchholz, J.; Bo, C.; van Leeuwen, Pwnm. "Phosphinothiolates as Ligands for Polyhydrido Copper Nanoclusters". Chemistry-a European Journal 20 49 (2014): 16121-16127.
    10.1002/chem.201404763
  51. Liu, H. Z.; Bandeira, N. A. G.; Felix, V.; Calhorda, M. J.. "Tris(organotin)tungstogermanate, a Sandwich Organometallic Derivative of a Keggin-Type Polyoxometalate: Synthesis and DFT Study". European Journal of Inorganic Chemistry 10-11 (2013): 1713-1719.
    10.1002/ejic.201201385
  52. Bandeira, N. A. G.; Maynau, D.; Robert, V.; Le Guennic, B.. "Do pi-pi Stacking Interactions Really Play a Role in the Magnetic Coupling Mechanisms of Cu-2(mu(2)-CH3COO)(2)L-2(H2O)(2) (n+) (L = heterocyclic base, n=0, 2) Complexes? An ab initio Inspection". Inorganic Chemistry 52 14 (2013): 7980-7986.
    10.1021/ic400517z
  53. Dakovic, M.; Vila-Vicosa, D.; Bandeira, N. A. G.; Calhorda, M. J.; Kozlevcar, B.; Jaglicic, Z.; Popovic, Z.. "Can self-assembly of copper(II) picolinamide building blocks be controlled?". Crystengcomm 15 40 (2013): 8074-8087.
    10.1039/c3ce41011k
  54. Bandeira, N. A. G.; Le Guennic, B.. "Calculation of Magnetic Couplings in Hydrogen-Bonded Cu(II) Complexes Using Density Functional Theory". Journal of Physical Chemistry A 116 13 (2012): 3465-3473.
    10.1021/jp300618v
  55. Fernandes, T. A.; Carvalho, Mfnn; Galvao, A. M.; Bandeira, N. A. G.; Calhorda, M. J.; do Rego, A. M. B.. "Electronic structure and properties of camphorimine Cu(I) coordination polymers". Journal of Polymer Science Part a-Polymer Chemistry 50 6 (2012): 1102-1110.
    10.1002/pola.25866
  56. Kozlevcar, Bojan; Kitanovski, Nives; Jagicic, Zvonko; Bandeira, Nuno A. G.; Robert, Vincent; Le Guennic, Boris; Gamez, Patrick. "Cis-Trans Isomeric and Polymorphic Effects on the Magnetic Properties of Water-Bridged Copper Coordination Chains". Inorganic Chemistry 51 5 (2012): 3094-3102.
    10.1021/ic202568y
  57. Bandeira, Nuno A. G.; Tabookht, Zahra; de Graaf, Coen; Lopez, Xavier. "Simple versus composite nature of the magnetic coupling in copper and nickel-based metallic chains. Over- and underestimation of J". Comptes Rendus Chimie 15 2-3 (2012): 163-169.
    10.1016/j.crci.2011.10.002
  58. Bandeira, Nuno A. G.; Daniel, Chantal; Trifonov, Alexander; Calhorda, Maria Jose. "Electronic Structure of Ytterbium Bis-indenyl and -cyclopentadienyl alpha-Diimine Complexes: A DFT and MS-CASPT2 Investigation". Organometallics 31 13 (2012): 4693-4700.
    10.1021/om300081j
  59. Costa, Jose Sanchez; Bandeira, Nuno A. G.; Le Guennic, Boris; Robert, Vincent; Gamez, Patrick; Chastanet, Guillaume; Ortiz-Frade, Luis; Gasque, Laura. "Coexistence of Intramolecular Ligand-Mediated and Through Hydrogen-Bond Magnetic Interactions in a Chain of Dicopper(II) Units (vol 50, pg 5696, 2011)". Inorganic Chemistry 50 19 (2011): 9735-9735.
    10.1021/ic2017837
  60. Costa, Jose Sanchez; Bandeira, Nuno A. G.; Le Guennic, Boris; Robert, Vincent; Gamez, Patrick; Chastanet, Guillaume; Ortiz-Frade, Luis; Gasque, Laura. "Coexistence of Intramolecular Ligand-Mediated and Through Hydrogen-Bond Magnetic Interactions in a Chain of Dicopper(II) Units". Inorganic Chemistry 50 12 (2011): 5696-5705.
    10.1021/ic200480d
  61. Gamelas, Carla A.; Bandeira, Nuno A. G.; Pereira, Claudia C. L.; Calhorda, Maria Jose; Herdtweck, Eberhardt; Machuqueiro, Miguel; Romao, Carlos C.; Veiros, Luis F.. "Indenyl ring slippage in crown thioether complexes IndMo(CO)(2)L (+) and C-S activation of trithiacyclononane: Experimental and theoretical studies". Dalton Transactions 40 40 (2011): 10513-10525.
    10.1039/c1dt10607d
  62. Ma, Yu; Bandeira, Nuno A. G.; Robert, Vincent; Gao, En-Qing. "Experimental and Theoretical Studies on the Magnetic Properties of Manganese(II) Compounds with Mixed Isocyanate and Carboxylate Bridges". Chemistry-a European Journal 17 6 (2011): 1988-1998.
    10.1002/chem.201002243
  63. Bandeira, N.A.G.; Corminboeuf, C.; Calhorda, M.J.. "Can five-membered Te2N2S rings be considered aromatic?". Structural Chemistry 18 6 (2007): 841-847. http://www.scopus.com/inward/record.url?eid=2-s2.0-37749048221&partnerID=MN8TOARS.
    10.1007/s11224-007-9270-y
  64. Bandeira, N. A. G.; Calhorda, M. J.. "Electronic structure and hydrogen bonding in a dicobalt(III) Werner complex". Structural Chemistry 16 3 (2005): 265-271.
    10.1007/s11224-005-4457-6
  65. Calhorda, M.J.; Bandeira, N.A.G.. "On the noble gas-induced intersystem crossing for the CUO molecule: Experimental and theoretical investigations of CUO(Ng) n(Ng = Ar, Kr, Xe; n= 1,2,3,4)". Chemtracts 17 4 (2004): 189-194. http://www.scopus.com/inward/record.url?eid=2-s2.0-4544318421&partnerID=MN8TOARS.
  66. Liu, H. Z.; Bandeira, N. A. G.; Calhorda, M. J.; Drew, M. G. B.; Felix, V.; Novosad, J.; de Biani, F. F.; Zanello, P.. "Cu(I) and Ag(I) complexes of chalcogenide derivatives of the organometallic ligand dppf and the dppa analogue". Journal of Organometallic Chemistry 689 17 (2004): 2808-2819.
    10.1016/j.jorganchem.2004.06.012
  67. Bandeira, N.A.G.; Veiros, L.F.; Calhorda, M.J.; Novosad, J.. "Te-Te interactions in inorganic rings with sulfur donors". Inorganica Chimica Acta 356 (2003): 319-327. http://www.scopus.com/inward/record.url?eid=2-s2.0-1042298082&partnerID=MN8TOARS.
    10.1016/S0020-1693(03)00294-9
Capítulo de livro
  1. Maria, Leonor; Bandeira, Nuno A. G.; Santos, Isabel C.; Gibson, John K.; Marçalo, Joaquim. "Uranium Chemistry Based on a Bis(aryloxide) Cyclam Ligand: A Synthetic Pursuit to Activate Relevant Unsaturated Molecules". In Synthesis and Applications in Chemistry and Materials, 277-306. WORLD SCIENTIFIC, 2024.
    10.1142/9789811283222_0031
  2. Ángel Sánchez-González; Bandeira, Nuno A. G.; Adrià Gil; Maria José Calhorda. "The Interaction of Molybdenum Complexes and Polyoxometalates with DNA Models". In Advances in Health and Disease, editado por Lowell T. Duncan, 1-43. New York, Estados Unidos: NOVA, 2022.
    Publicado
  3. Pezzo, Rita Del; Trojanowska, Anna; Pirone, Dominico; Bandeira, Nuno A.G.; Bogdanowicz, Krzysztof Artur; Giamberini, Marta; Tylkowski, Bartosz. "2. Light-sensitive microcapsules based on modified and un-modified azobenzene moieties". In Microencapsulation, 23-48. De Gruyter, 2020.
    10.1515/9783110642070-002
  4. Marturano, V.; Ambrogi, V.; Bandeira, N. A. G.; Tylkowski, B.; Giamberini, M.; Cerruti, P.. "5. Modeling of Azobenzene-Based Compounds". In Chemical Synergies, 135-152. De Gruyter, 2018.
    10.1515/9783110482065-005
Livro
  1. Chemical Synergies. Alemanha: De Gruyter. 2018.
    10.1515/9783110482065 • Editor
Revisão de livro
  1. Leonor Maria; Bandeira, Nuno A. G.; Isabel C. Santos; John K. Gibson; Joaquim Marçalo. "Uranium Chemistry Based on a Bis(Aryloxide) Cyclam Ligand: Synthetic Pursuit to Activate Relevant Unsaturated Molecules". Revisão de Synthesis and Applications in Chemistry and Materials 13, 7 (2023): https://www.worldscientific.com/worldscibooks/10.1142/13309#t=aboutBook.
    10.1142/13309

Outros

Outra produção
  1. 2. Smart microcapsules based on photo-isomerizable moieties. 2015. Bartosz Tylkowski; Nuno A.G. Bandeira; Krzysztof Artur Bogdanowicz; Marta Giamberini. http://dx.doi.org/10.1515/9783110331998-004.
    10.1515/9783110331998-004
Atividades

Apresentação oral de trabalho

Título da apresentação Nome do evento
Anfitrião (Local do evento)
2020/02/06 Delocalised character of nickel charge transfer complexes: a challenge to conventional multiconfigurational methods Joint CEC-KoFo Winter Symposium
Max Planck Institute for Chemical Energy Conversion (MPI-CEC) (Mülheim an der Ruhr, Alemanha)
2019/09/01 Ni(I) Schiff Base Complexes : A Case Of Mistaken Identity? 12th European Conference on Theoretical and Computational Chemistry (EUCO-CTC)
FECS (Perugia, Itália)
2019/07/16 Ni(I) Schiff Base Complexes : A Case Of Mistaken Identity? 4th Meeting of the College of Chemistry of the University of Lisbon
Universidade de Lisboa (Lisboa, Portugal)
2018/08/26 Computational Screening Of Molybdenum Oxy-Sulfide Species Functioning As Catalytic Agents In The Electrochemical Hydrogen Evolution Reaction 7th EuCheMS Chemistry Congress
FECS (Liverpool, Portugal)
2018/06/27 The Effect Of Bipyridine As A Redox Active Ligand In Uranium Complexes 3rd Meeting of the College of Chemistry of the University of Lisbon
Univsersidade de Lisboa (Lisboa, Portugal)
2017/09/04 Computational Insights Into Gold(I) Cluster Catalysis 11th European Conference on Computational Chemistry (EUCO-TCC)
(Barcelona, Espanha)
2016/11/03 In Silico Methods To Understand Chemical Results Invited Seminar
Adam Mickiewicz University (Poznan, Portugal)
2016/10/07 Where Are The Bonds? Probing Into The Electronic Structure Of Actinide Disulphides Of The Type ¿2-[AnS2]2+ (An=Th,U,Np) 11th Inorganic Chemistry Conference
Sociedade Portuguesa de Química (Sintra, Portugal)
2016/09/11 A Computational Reconnaissance Of The Stability And Electronic Structure Of Trivalent Metal Keggin Cations: Two Case Studies 6th EUCHEMS Chemistry Congress
FECS (Sevilha, Espanha)
2016/07/10 Structural Changes of a Vanadium Polyoxoanion: A Mystery Frontiers in Metal Oxide Cluster Science (FMOCS) IV
COST Action CM1203 (Newcastle, Reino Unido)
2016/06/13 Computational Insights Into Gold(I) Cluster Catalysis Red de Excelencia RedINTECAT meeting (CTQ2014-52974-REDC)
Real Sociedad Española de Química (Punta Umbria, Espanha)
2015/12/18 Predicting and Understanding Chemistry through a Computational Approach Seminar series
Dep. Chemical Engineering, Universitat Rovira i Virgili (Tarragona, Espanha)
2015/09/01 Cationic Keggin Type Polyoxometalates: Theoretical Insights Into Their Stability And Electronic Properties 10th European Conference on Computational Chemistry (EUCO-TCC)
(Fulda, Alemanha)
2015/08/16 Modelling The Reactivity Of The {Mo132} Keplerate : Two Case Studies American Chemical Society Fall Meeting
American Chemical Society (Boston, Estados Unidos)
2015/08/12 Predicting and Understanding Chemistry through a Computational Approach Molecular Modeling Group Meeting
Procter and Gamble (Cincinnati, Estados Unidos)
2015/06/25 Unveiling The Chemistry, Stability And Magnetic Properties Of Polyoxometalates With The Helping Hand Of DFT. Computational Approaches to Materials Design (CAMD)
(Aveiro, Portugal)
2014/07/12 Modelling The Reactivity Of The {Mo132} Keplerate : Two Case Studies Frontiers in Metal Oxide Cluster Science (FMOCS)
(Maffliers, França)
2013/06/11 Understanding The CO2 Sequestering Ability Of The Spherical Polyoxomolybdate {Mo132} – A Computational Perspective XXIII National Meeting of the Portuguese Chemical Society (SPQ)
Universidade de Aveiro (Aveiro, Portugal)
2010/11/09 Adventures And Misadventures In Computational Chemistry: From Copper Dimers To Polyoxometalates V Jujols meeting of Franco-Catalan quantum chemists addressing magnetic phenomena
(Horta de Sant Joan, Espanha)

Orientação

Título / Tema
Papel desempenhado
Curso (Tipo)
Instituição / Organização
2019/01/01 - 2021 Radon - A gas-phase ion chemistry perspective.
Coorientador de Sandrina Oliveira
PostDoc (Outra)
Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal

FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal
2019/01/02 - 2019/06/02 In Silico Nanobiosolutions (PTDC/QUI-QFI/29236)
Coorientador
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal

Organização de evento

Nome do evento
Tipo de evento (Tipo de participação)
Instituição / Organização
2024/02/01 - 2024/05/18 Organizing committee member of the 14th Inorganic and Bioinorganic Chemistry Conference, Portuguese Chemical Society. (2024/05/16 - 2024/05/18)
Conferência (Membro da Comissão Organizadora)

Participação em evento

Descrição da atividade
Tipo de evento
Nome do evento
Instituição / Organização
2015/08/10 - 2015/08/14 Visiting Scientist to P&G
Encontro
Modeling and Simulation Center - Procter and Gamble, Estados Unidos

Curso / Disciplina lecionado

Disciplina Curso (Tipo) Instituição / Organização
2022/09/01 - 2022/12/20 General Chemistry for Geology, Biology and Energy Engineering BSc Química Geral (Licenciatura) Universidade de Lisboa Faculdade de Ciências, Portugal
2021/09/01 - 2021/12/20 General Chemistry for Geology, Biology and Energy Engineering BSc Química Geral (Licenciatura) Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
2020/10/01 - 2021/01/10 Fundamentos de Química Fundamentos de Química (Licenciatura) Universidade de Lisboa Faculdade de Ciências, Portugal

Entrevista / Programa (rádio / tv)

Programa Tema
2019/12/03 - Atual Muito Barulho para Nada Divulgação cultural

Membro de associação

Nome da associação Tipo de participação
2023/07/01 - Atual Quantum Bio-Inorganic Chemistry Society - https://www.qbicsoc.org/ Member

Tutoria

Tópico Nome do aluno
2023/04/01 - 2024/03/31 CO2Pilot - Computational insights into CO2 reduction catalysis. Ona Sivickyte
Distinções

Título

2004 Associate Member of the Royal Society of Chemistry
Royal Society of Chemistry, Reino Unido