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My area of scientific activity is mainly within inorganic chemistry, with a strong contribution of computational chemistry (physical chemistry). The systems addressed theoretically, using ab initio calculations (mainly ADF and Gaussian programs), contain transition and main group elements, within inorganic, organometallic and biological chemistry. Beside the electronic structure of molecules, I am interested in calculating properties of transition metal complexes (absorption spectra and emission, luminescence, excited state lifetimes, Mossbauer and EPR parameters, redox behavior, etc), studying weak interactions (hydrogen bonds and van der Waals interactions), and determining reaction mechanisms (from carbon dioxide reduction to catalysis). More recently, I became interested in some biochemical problems, such as intercalation of molecules in DNA. Experimental areas of activity address the design, synthesis, and characterization of molecular solids based on organometallic molybdenum fragments, and the immobilization of molecules in porous solids (one- and two dimensional) in order to obtain efficient catalysts, as well as to develop metal based antitumor drugs. More recently, the range of complexes has been extended to spin crossover systems (iron and manganese) and the materials to nanoparticles, foams, ionic liquids. The synthetic chemistry deals with synthesis, characterization and applications of organometallic and inorganic compounds, namely in catalysis, materials and medicinal chemistry. Some activities: Post-doctoral studies in the Inorganic Chemistry Laboratory, Oxford University, UK, (November 1980 to August 1981), with D.M.P. Mingos; Visiting Scientist in Baker Laboratory, Department of Chemistry, Cornell University, USA, from September 1987 to September 1988, with R. Hoffmann; Researcher at the Max-Planck-Institut für Festkörperforschung, Stuttgart, Germany, from February to October 1995, in the group of A. Simon; Researcher at the University of Marburg, Germany, from May to August 2004, in the group of G. Frenking; Invited Professor at the University of Strasbourg, France, from April to July 2018, in the group of Chantal Daniel. Supervision of undergraduate, Master, PhD, post-doctoral students in research projects; participation in national and international conferences; organization of conferences; scientific reviewer of many journals (ACS, RSC, Wiley, Elsevier, Springer, Nature Publishing Group). Author or co-author of about 300 scientific papers in peer-reviewed journals (Thomson Reuters), corresponding to a h-index of 45; 40 papers of other types or chapters; over 300 communications in conferences (invited, oral or poster). Teaching activity at all levels (1st, 2nd and 3rd cycles), ranging mainly from Inorganic Chemistry (Coordination, Organometallic, Catalysis, Mechanisms), to General Chemistry and Supramolecular Chemistry, and from lectures, to problem solving classes and laboratory courses. Participation in several committees of the Department of Chemistry and Biochemistry (DQB) and Faculty of Science; Vice-President of the Scientific Council of the Faculty of Science (2002 and 2003); Head of the department (DQB, 2005 and 2006); coordinator of Centro de Química e Bioquímica (FCT research unit 612: 2008 and 2009; 2014-2017); Vice-President of Sociedade Portuguesa de Química (2010-2012); President of Sociedade Portuguesa de Química (2013-2016); Member of Senate of Universidade de Lisboa and elected member of the Commission for Scientific Affairs, 2013-2017. Retired in 2019.
Identificação

Identificação pessoal

Nome completo
Maria José Diogo da Silva Calhorda

Nomes de citação

  • Calhorda, Maria
  • Calhorda, MJ

Identificadores de autor

Ciência ID
E918-9236-F4CF
ORCID iD
0000-0002-6872-3569
Researcher Id
O-8215-2015
Scopus Author Id
7006689507

Endereços de correio eletrónico

  • mjcalhorda@gmail.com (Pessoal)

Domínios de atuação

  • Ciências Exatas - Química - Química Inorgânica

Idiomas

Idioma Conversação Leitura Escrita Compreensão Peer-review
Português Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador proficiente (C1)
Inglês Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador proficiente (C1)
Francês Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador independente (B1) Utilizador proficiente (C1)
Alemão Utilizador elementar (A1) Utilizador elementar (A2) Utilizador elementar (A1) Utilizador elementar (A1)
Espanhol; Castelhano Utilizador independente (B1) Utilizador proficiente (C1) Utilizador elementar (A1) Utilizador independente (B1)
Formação
Grau Classificação
1993
Concluído
na (Título de Agregado)
Universidade de Lisboa Instituto Superior Técnico, Portugal
"na" (TESE/DISSERTAÇÃO)
Unanimidade
1980
Concluído
-- (Doutoramento)
Universidade de Lisboa Instituto Superior Técnico, Portugal
"Complexos bisciclopentadienilos de molibdénio, tungsténio e titânio com ligandos azotados" (TESE/DISSERTAÇÃO)
Distinção e Louvor por unanimidade
1971
Concluído
Engenharia Química (Processos) (Licenciatura)
Universidade de Lisboa Instituto Superior Técnico, Portugal
"na" (TESE/DISSERTAÇÃO)
18
Percurso profissional

Docência no Ensino Superior

Categoria Profissional
Instituição de acolhimento
Empregador
1996 - 2019 Professor Catedrático (Docente Universitário) Universidade de Lisboa Faculdade de Ciências, Portugal
1987 - 1996 Professor Associado (Docente Universitário) Universidade de Lisboa Instituto Superior Técnico, Portugal
1980 - 1987 Professor Auxiliar (Docente Universitário) Universidade de Lisboa Instituto Superior Técnico, Portugal
1973 - 1980 Assistente (Docente Universitário) Universidade de Lisboa Instituto Superior Técnico, Portugal
1971 - 1973 Assistente Estagiário (Docente Universitário) Universidade de Lisboa Instituto Superior Técnico, Portugal
1970/10/01 - 1971/09/30 Monitor (Docente Universitário) Universidade de Lisboa Instituto Superior Técnico, Portugal
Projetos

Bolsa

Designação Financiadores
2018/05/04 - 2018/08/03 Computational studies of luminescent boron neutral derivatives and metal complexes
SFRH/BSAB/135473/2017
Fundação para a Ciência e a Tecnologia
Concluído
2009/01 - 2012/06 Design of new catalysts for enantioselective oxidation catalysis
Investigador
Stichting Weten
Concluído

Projeto

Designação Financiadores
2018/10/01 - 2022/09/30 Deal with PAINS: strategies to spot membrane modulators
PTDC/BIA-BFS/28419/2017
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2018/10/01 - 2022/09/30 New Organometallic Materials with Thermally Activated Delayed Fluorescence for Applications in High Efficiency OLEDs
PTDC/QUI-QIN/31585/2017
Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal

FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal

Instituto de Telecomunicações Lisboa, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2018/09/01 - 2022/08/31 IN SILICO NANOBIOSOLUTIONS: COMPUTATIONAL DESIGN OF BIOACTIVE METAL COMPLEXES AND POLYOXOMETALATES FOR MEDICAL APPLICATIONS
PTDC/QUI-QFI/29236/2017
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2018 - 2022 Novos Materiais Organometálicos com Fluorescência Atrasada Ativada Termicamente para Aplicações em OLEDs de Elevada Eficiência
PTDC/QUI-QIN/31585/2017
Bolseiro de Investigação
Universidade de Lisboa Instituto de Biossistemas e Ciências Integrativas, Portugal
Fundação para a Ciência e a Tecnologia
Em curso
2018/07/01 - 2021/12/31 Uncovering blind spots in halogen bonding applications
PTDC/QUI-QFI/28455/2017
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2018 - 2021 New Organometallic Materials with Thermally Activated Delayed Fluorescence for Applications in High Efficiency OLEDs
PTDC/QUI-QIN/31585/2017
Investigador
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
2019/01/01 - 2019/12/31 Biosystems & Integrative Sciences Institute
UID/Multi/04046/2019
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal

Universidade de Lisboa Instituto de Biossistemas e Ciências Integrativas, Portugal

Instituto Nacional de Saúde Doutor Ricardo Jorge, Portugal

Universidade do Minho, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal

Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade do Porto Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2019/01/01 - 2019/12/31 Center of Chemistry and Biochemistry
UID/Multi/00612/2019
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal

Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2016/04/01 - 2019/09/30 CpHMD-L simulations of pHLIP peptides: design of new tumor-targeted drug delivery systems
PTDC/QEQ-COM/5904/2014
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica António Xavier, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal

Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

BioResources 4 Sustainability, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2016/05/01 - 2019/06/30 Multifunctional Luminescent Spin Labile Hybrid Materials
PTDC/QEQ-QIN/3414/2014
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal

Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade de Lisboa Instituto de Biossistemas e Ciências Integrativas, Portugal

Unidade de Ciências Biomoleculares Aplicadas, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2016/06/01 - 2019/06/01 Overcoming environmental problems associated with antifouling agents: synthesis of Nature-inspired non-toxic biocides and immobilization in polymeric coatings.
PTDC/AAG-TEC/0739/2014
Universidade do Porto Centro Interdisciplinar de Investigação Marinha e Ambiental, Portugal

FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal

Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2017 - 2019 Studies on metal-catalyzed C-H functionalization
Acordo de Cooperação Científica e Tecnológica entre Portugal e a China
Investigador responsável
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
2015/01/01 - 2018/12/31 Center of Chemistry and Biochemistry
UID/Multi/00612/2013
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal

Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2015/01 - 2017/12 Center of Chemistry and Biochemistry
Coordenador do Centro de Química e Bioquímica
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Stichting Weten
Concluído
2013 - 2017 Catalytic Routines for Small Molecule Activation (CARISMA)
CMST COST Action CM1205
Investigador
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Concluído
2013 - 2017 Chemistry for Electron-Induced Nanofabrication (CELINA)
CMST COST Action CM1301
Investigador
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
2014/01/01 - 2015/12/31 Incentive - UI 612 - 2014
Incentivo/QUI/UI0612/2014
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2014/01 - 2015/12 Incentive - UI 612 - 2014
Coordenador do Centro de Química e Bioquímica
Stichting Weten
Concluído
2014/04/01 - 2015/07/31 MAROC - Morphology-Activity Relationship in Oxidation Catalysis
EXPL/QEQ-QIN/1137/2013
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2014/04 - 2015/07 MAROC - Morphology-Activity Relationship in Oxidation Catalysis
Investigador
Stichting Weten
Concluído
2011/03/01 - 2014/08/31 Design of acid-functionalised periodic mesoporous organosilica catalysts for reactions with/in water
PTDC/QUI-QUI/113678/2009
Universidade de Aveiro, Portugal

Universidade de Aveiro CICECO, Portugal

Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2011/03 - 2014/08 Design of acid-functionalised periodic mesoporous organosilica catalysts for reactions with/in water
Investigador
Stichting Weten
Concluído
2011/01/01 - 2014/07/12 Adding realism to the molecular modeling of lipidic membranes: inclusion of pH effects
PTDC/QUI-BIQ/113721/2009
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2011/01 - 2014/07 Adding realism to the molecular modeling of lipidic membranes: inclusion of pH effects
Investigador
Stichting Weten
Concluído
2011/01/01 - 2012/12/31 Strategic Project - UI 612 - 2011-2012
PEst-OE/QUI/UI0612/2011
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2009/02/02 - 2012/08/31 New Luminescent Metal Complexes for Light-Emitting Diodes
PTDC/QUI/65474/2006
Universidade de Lisboa Instituto Superior Técnico, Portugal

Universidade de Lisboa Centro de Química Estrutural, Portugal

Instituto de Telecomunicações Lisboa, Portugal

Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2009/02 - 2012/08 New Luminescent Metal Complexes for Light-Emitting Diodes
Investigador
Stichting Weten
Concluído
2009/01/01 - 2012/06/30 Design of new catalysts for enantioselective oxidation catalysis
PTDC/QUI/71576/2006
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2008/02/01 - 2011/06/30 Design of copper, zinc and iron compounds with antileishmanial activity
PTDC/QUI/72656/2006
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Universidade Nova de Lisboa Instituto de Higiene e Medicina Tropical, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2005/10/01 - 2007/07/01 Modelling the reactivity of transition metal complexes
POCI/QUI/58925/2004
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2005/10 - 2007/07 Modelling the reactivity of transition metal complexes
Investigador responsável
Stichting Weten
Concluído
2006 - 2007 Síntese de compostos de ouro e cobre luminescentes e estudo teórico da origem da luminescência
GRICES/CSIC
Investigador responsável
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Concluído
2006 - 2007 Propriedades fotoquímicas e fotofísicas de compostos organometálicos envolvidos em dispositivos moleculares
GRICES, Programa Pessoa
Investigador responsável
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
2001 - 2007 Hydrogen production and reduction of carbon dioxide by linear chain transition metal complexes
COST Action D29 d29-0012-04
Investigador
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
2005 - 2006 Theoretical study of reaction mechanisms in Organometallic Chemistry. 1. Theoretical Study of the reaction of [RuCp(PR3)(CH3CN)2]PF6 (R = Me, Ph, Cy) with acetylenes to yield eta3-Allenyl Carbene Complexes
ICCTI-Acordo Cultural Portugal-Áustria
Investigador
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
2005 - 2006 Estudo computacional da activação de hidrogénio molecular por complexos de metais de transição
GRICES /CNR
Investigador responsável
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Concluído
2005 - 2006 Mecanismos de reacções catalisadas por complexos organometálicos de relevância industrial
CRUP, Acções integradas Luso-Alemãs
Investigador responsável
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
2001 - 2006 Stereoselective Catalysis by Ruthenium Complexes
COST Action D24 d24-0014-02
Investigador
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
2004 - 2005 Interacções metálicas e luminescência em compostos poli e heteronucleares de ouro e prata
CRUP, Acções Integradas Luso-Espanholas
Investigador responsável
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Concluído
1998 - 2005 Organometallic and Metallo-Organic Building Blocks for Photonic Materials
COST Action D14 d14-0001-99
Investigador
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
2003 - 2004 Dinâmica de estados excitados em agregados polimetálicos
GRICES/CSIC
Investigador responsável
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Concluído
2003 - 2004 Estudo computacional da activação de hidrogénio molecular por complexos de metais de transição
GRICES /CNR
Investigador responsável
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
2003/01 - 2003/12 Theoretical study of reaction mechanisms in Organometallic Chemistry. 1. Theoretical Study of the reaction of [RuCp(PR3)(CH3CN)2]PF6 (R = Me, Ph, Cy) with acetylenes to yield eta3-Allenyl Carbene Complexes
ICCTI-Acordo Cultural Portugal-Áustria
Investigador responsável
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
2001 - 2002 Estudo de interacções metálicas em complexos poli e heteronucleares de ouro e prata
CRUP, Acções Integradas Luso-Espanholas
Investigador responsável
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
2001 - 2002 Estudos teóricos e electroquímicos de compostos polinucleares
ICCTI/CNR
Investigador responsável
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
2001 - 2002 Propriedades redox e estrutura electrónica de agregados tri e tetranucleares de cobalto contendo polienos
Acção Integrada Luso-Alemã
Investigador responsável
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
1998/01 - 1998/12 Como modificar a força das ligações ouro-ouro: um estudo teórico e experimental
Acções Integradas Luso-Espanholas
Investigador responsável
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
1997 - 1998 From Molecules to Molecular Agregates: Structure and Bonding
JNICT/CNR
Investigador responsável
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
1996 - 1998 Metal Clusters in Catalysis and Organic Synthesis
TMR Research Network Proposal ERB 4061 PL95 - 1447
Investigador
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
1996/01 - 1996/12 Como modificar a força das ligações ouro-ouro: um estudo teórico e experimental
Acções Integradas Luso-Espanholas
Investigador responsável
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
1995 - 1996 From Molecules to Molecular Agregates: Structure and Bonding
JNICT/CNR
Investigador responsável
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
1993 - 1995 Quantum Chemistry of Transition Metal Compounds
Human Capital and Mobility
Investigador
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
1993 - 1994 From Molecules to Molecular Agregates: Structure and Bonding
JNICT/CNR
Investigador responsável
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Concluído
1991 - 1992 Theoretical Studies of Surface Reactivity
NATO
Investigador responsável
Universidade de Lisboa Centro de Química Estrutural, Portugal
Concluído
Produções

Publicações

Artigo em revista
  1. Fialho, Carina B.; Cruz, Tiago F.C.; Calhorda, MJ; Vieira Ferreira, Luís F.; Pander, Piotr; Dias, Fernando B.; Maçanita, António L.; Gomes, Pedro T.. Autor correspondente: Gomes, Pedro T.. "9-Borafluoren-9-yl and diphenylboron tetracoordinate complexes of 8-quinolinolato ligands with heavy-atoms substituents: Synthesis, fluorescence and application in OLED devices". Dyes and Pigments 228 (2024): 112174. https://doi.org/10.1016/j.dyepig.2024.112174.
    Publicado • 10.1016/j.dyepig.2024.112174
  2. Veiros, Luis F.; Costa, Paulo J.; Martins, Frederico F.; Pi, Chao; Cui, Xiuling; Calhorda, Maria José; Luis F. Veiros; et al. "The Challenging Reaction of Cyclopropenones with Benzamide Catalyzed by Rh(III): A Computational Study". Organometallics 43 6 (2024): 653-664. https://doi.org/10.1021/acs.organomet.3c00499.
    10.1021/acs.organomet.3c00499
  3. Fernandes, Tiago A.; Duarte, Tiago A.G.; Mestre, Ana S.; Ferreira, Maria J.G.; do Rego, Ana M. Botelho; Ferraria, Ana M.; Kirillova, Marina V.; Carvalho, Ana P.; Calhorda, MJ. Autor correspondente: Carvalho, Ana P.. "Sisal-derived acid-char molybdenum catalyst for reductive deoxygenation of sulfoxides". Catalysis Today 426 (2023): 114388. https://doi.org/10.1016/j.cattod.2023.114388.
    Publicado • 10.1016/j.cattod.2023.114388
  4. Carina B. Fialho; Tiago F. C. Cruz; Ana I. Rodrigues; Maria José Calhorda; Luís F. Vieira Ferreira; Piotr Pander; Fernando B. Dias; et al. "9-Borafluoren-9-yl and diphenylboron tetracoordinate complexes of F- and Cl-substituted 8-quinolinolato ligands: synthesis, molecular and electronic structures, fluorescence and application in OLED devices". Dalton Transactions (2023): https://doi.org/10.1039/D3DT00496A.
    10.1039/D3DT00496A
  5. Sara Realista; Paulo J. Costa; Luisa B. Maia; Maria José Calhorda; Paulo N. Martinho. "Mechanistic insights into the electrochemical reduction of CO2 to CO on Ni(salphen) complexes". Inorganic Chemistry Frontiers (2023): https://doi.org/10.1039/D3QI00424D.
    10.1039/D3QI00424D
  6. Paulo J. Costa; Frederico F. Martins; Chao Pi; Xiuling Cui; Maria José Calhorda. "C–H functionalization of quinoline N-oxides catalyzed by Pd(ii) complexes: a computational study". Physical Chemistry Chemical Physics (2023): https://doi.org/10.1039/D3CP02445H.
    10.1039/D3CP02445H
  7. Vilas-Boas, Cátia; Neves, Ana Rita; Carvalhal, Francisca; Pereira, Sandra; Calhorda, Maria José; Vasconcelos, Vitor; Pinto, Madalena; et al. Autor correspondente: Silva, Elisabete R.. "Multidimensional characterization of a new antifouling xanthone: Structure-activity relationship, environmental compatibility, and immobilization in marine coatings". Ecotoxicology and Environmental Safety 228 (2021): 112970. http://dx.doi.org/10.1016/j.ecoenv.2021.112970.
    10.1016/j.ecoenv.2021.112970
  8. Á.Sánchez-González; N. A. G. Bandeira; I. Ortiz de Luzuriaga; F. M. L. Martins; S. Elleuchi; K. Jarraya; J. Lanuza; et al. Autor correspondente: Adrià Gil. "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
  9. Mathias Glatz; Nikolaus Gorgas; Berthold Stöger; Ernst Pittenauer; Liliana Ferreira; Luis F. Veiros; Maria José Calhorda; Karl Kirchner. "Structural and Electronic Properties of Iron(0) PNP Pincer Complexes". Zeitschrift für anorganische und allgemeine Chemie 647 14 (2021): 1429-1435. https://doi.org/10.1002/zaac.202100015.
    10.1002/zaac.202100015
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  298. Calhorda, M.J.; Frazão, C.F.; Simões, J.A.M.; CALHORDA, MJ; FRAZAO, CF; SIMOES, JAM. "Metal-carbon "bond strengths" in Cr(CO)6, Cr(¿-C6H6)2, and Cr(CO)3(¿-C6H6)". Journal of Organometallic Chemistry 262 3 (1984): 305-314. http://www.scopus.com/inward/record.url?eid=2-s2.0-2142826265&partnerID=MN8TOARS.
    10.1016/S0022-328X(00)99158-7
  299. CALHORDA, MJ; DIAS, AR; SALEMA, MS; SIMOES, JAM; Calhorda, M.J.; Dias, A.R.; Salema, M.S.; Martinho Simões, J.A.. "ENTHALPIES OF FORMATION OF TI(ETA-C5H5)2L2 COMPLEXES (L=3-CH3C6H4,4-CH3C6H4,4-CF3C6H4,AND4-CH3OC6H4)". Journal of Organometallic Chemistry 255 1 (1983): 81-86. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1983RM66400009&KeyUID=WOS:A1983RM66400009.
    10.1016/0022-328X(83)80175-2
  300. Briant, C.E.; Calhorda, M.J.; Hor, T.S.A.; Howells, N.D.; Mingos, D.M.P.; BRIANT, CE; CALHORDA, MJ; et al. "Chemistry of platinum sulphido-complexes. Part 3. Crystal and molecular structure of tetrasulphido[1,2-bis(diphenylphosphino)ethane]platinum(II) and a study of its bonding and reactions". Journal of the Chemical Society, Dalton Transactions 7 (1983): 1325-1330. http://www.scopus.com/inward/record.url?eid=2-s2.0-37049101454&partnerID=MN8TOARS.
    10.1039/DT9830001325
  301. CALHORDA, MJ; DACOSTA, RG; DIAS, AR; SIMOES, JAM. "ENTHALPIES OF FORMATION OF COMPLEXES [TI(ETA-C5H5)2(N3)2] AND [TI(ETA-C5H5)2(NC8H6)2]". Journal of the Chemical Society-Dalton Transactions 12 (1982): 2327-2330. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1982PU23200006&KeyUID=WOS:A1982PU23200006.
    10.1039/dt9820002327
  302. Calhorda, M.J.; Da Costa, R.G.; Dias, A.R.; Simões, J.A.M.. "Enthalpies of formation of complexes [ti(¿-C5H5)2(N3)2] and [ti(¿-C5H5)2(NC8H 6)2]". Journal of the Chemical Society, Dalton Transactions 12 (1982): 2327-2330. http://www.scopus.com/inward/record.url?eid=2-s2.0-37049091655&partnerID=MN8TOARS.
    10.1039/DT9820002327
  303. Calhorda, M.J.; Mingos, D.M.P.; CALHORDA, MJ; MINGOS, DMP. "Extended hückel molecular orbital calculations on fused pentagonal bipyramidal metallocarboranes containing wedge ligands such as BH, Sn, OR Ge". Journal of Organometallic Chemistry 229 3 (1982): 229-245. http://www.scopus.com/inward/record.url?eid=2-s2.0-0347824932&partnerID=MN8TOARS.
    10.1016/S0022-328X(00)83816-4
  304. Calhorda, M.J.; Mingos, D.M.P.; Welch, A.J.; CALHORDA, MJ; MINGOS, DMP; WELCH, AJ. "Theoretical comparison of the "slip" distortion and rotational barriers in comparable seven and twelve vertex carbaplatinaboranes". Journal of Organometallic Chemistry 228 3 (1982): 309-320. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000189847&partnerID=MN8TOARS.
    10.1016/S0022-328X(00)84332-6
  305. CALHORDA, MJ; DIAS, AR. "DI-ETA-5-CYCLOPENTADIENYLMETAL COMPLEXES WITH NITROGEN DONOR ATOM LIGANDS - NEW IMIDAZOLE, N-METHYLIMIDAZOLE, PYRAZOLE AND 2,2'-BIS-IMIDAZOLE COMPLEXES OF MOLYBDENUM AND TUNGSTEN". Journal of Organometallic Chemistry 197 3 (1980): 291-302. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1980KH31500006&KeyUID=WOS:A1980KH31500006.
    10.1016/S0022-328X(00)84683-5
  306. CALHORDA, MJ; DIAS, AR. "DERIVATIVES OF M(ETA-5-C5H5)2 (M=MO,W) WITH ALKENYLPYRIDINES AND RELATED LIGANDS". Journal of Organometallic Chemistry 198 1 (1980): 41-53. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1980KJ13100006&KeyUID=WOS:A1980KJ13100006.
    10.1016/S0022-328X(00)84662-8
  307. Calhorda, M.J.; Dias, A.R.; CALHORDA, MJ; DIAS, AR. "Bis(¿-cyclopentadienyl)-molybdenum (and -tungsten or -titanium) complexes with chelate imidazole derivatives and related ligands". Journal of the Chemical Society, Dalton Transactions 8 (1980): 1443-1447. http://www.scopus.com/inward/record.url?eid=2-s2.0-37049095286&partnerID=MN8TOARS.
    10.1039/DT9800001443
Capítulo de livro
  1. Limao-Vieira, P.; Meneses, G.; Cunha, T.; Gil, A.; Calhorda, M. J.; Garcia, G.; da Silva, F. Ferreira. "Complex internal rearrangement processes triggered by electron transfer to acetic acid". 2015.
    10.1088/1742-6596/635/1/012002
  2. Calhorda, MJ; Kirchner, K; Veiros, LF. "Cycloaddition of alkynes mediated by [RuCp(L)](+) (L = CO, NCH, PH3) and RuCpCl complexes - Metallacyclopentatrienes as key intermediates - A DFT study". 111-119. 2003.
    10.1039/9781847551641-00111
  3. Calhorda, MJ. "How to look at bonds in extended solids". 209-228. 1999.
  4. UNALEROGLU, C; CALHORDA, MJ. "ELECTRONIC-STRUCTURE OF [BR(PME3)3RH(OCH2CME2)]". 175-178. 1992.
  5. CALHORDA, MJ. "MOLECULAR-ORBITAL STUDIES OF REDUCTIVE ELIMINATION-REACTIONS". 397-410. 1991.
Resumo em conferência
  1. Ferreira, Ana; Vilas Boas, Cátia; Reis, Joana; Sousa, Emilia; Pinto, Madalena; Correia-da-Silva, Marta; Calhorda, Maria; Silva, Elisabete. "Inhibition of marine biofoulants settlement by new biomimetic coatings". 2018.
    Publicado • 10.3389/conf.fmars.2018.06.00061
Atividades

Orientação

Título / Tema
Papel desempenhado
Curso (Tipo)
Instituição / Organização
2008 - 2012 Synthesis, characterization and catalytic studies of new Mo(II) and W(II) complexes and new supporting materials
Orientador
Química
Universidade de Lisboa Faculdade de Ciências, Portugal
2008 - 2012 Concepção de novos materiais para catálise heterogénea e outras aplicações
Orientador
Química (Doutoramento)
Universidade de Lisboa Faculdade de Ciências, Portugal
2005 - 2009 Estudos Computacionais de Compostos Inorgânicos
Orientador
Química (Doutoramento)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2003 - 2007 Estudos Teóricos da Reactividade de Compostos de Elementos de Transição
Orientador
Química (Doutoramento)
Universidade de Lisboa Faculdade de Ciências, Portugal
1999 - 2003 Transition Metal Polynuclear Complexes
Orientador
Química (Doutoramento)
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
1998 - 2002 Estrutura Electrónica e Reactividade de Derivados de Óxidos Metálicos
Orientador
Química (Doutoramento)
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
1996 - 2000 Electronic Structure and Reactivity of Transition Metal Complexes
Orientador
Química (Doutoramento)
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
1990 - 1994 Estudos em Complexos, Sólidos e Superfícies, com o Método de Huckel alargado
Orientador
Ciências de Engenharia - Engenharia Química (Doutoramento)
Universidade de Lisboa Instituto Superior Técnico, Portugal
1989 - 1993 Cálculos de Orbitais Moleculars e Estudo de Difracçãode Raios-X em Compostos Orgânicos e Organometálicos
Orientador
Engenharia Química (Doutoramento)
Universidade de Lisboa Instituto Superior Técnico, Portugal
Distinções

Prémio

2018 Prémio Ferreira da Silva
Sociedade Portuguesa de Química, Portugal
1971 Prémio Mobil Oil Portugal
Mobil Oil Portugal, Portugal
1970 Prémio Mobil Oil Portugal
Mobil Oil Portugal, Portugal

Título

2017 Fellow ChemPubSoc Europe
ChemPubSoc Europe, Alemanha

Outra distinção

2011 Prémio Romão Dias
Sociedade Portuguesa de Química, Portugal
2005 Estímulo à Ciência
Fundação para a Ciência e a Tecnologia, Portugal
2004 Estímulo à Ciência
Fundação para a Ciência e a Tecnologia, Portugal