Inorganic and Theoretical Chemistry Group


Publication List (last updated: 06-08-2015)


  1. Preference for sulfoxide S- or O-bonding to 3d transition metals - DFT insights B.P. Cardoso, B. Royo, M. J. Calhorda, J. Organomet. Chem., 2015, Accepted.

  2. Pore size matters! Helical heterogeneous catalysts in olefin oxidation M.S. Saraiva, C.I. Fernandes, T.G. Nunes, M.J. Calhorda, C.D. Nunes, Appl. Catal. A, 2015, Accepted.

  3. Highly selective and recyclable MoO3 nanoparticles in epoxidation catalysis C. I. Fernandes, P. D. Vaz, C. D. Nunes, Appl. Catal. A: Gen., 2015, Accepted.

  4. MoO2 nanoparticles as highly efficient olefin epoxidation catalysts A. Bento, A. Sanches, E. Medina, C. D. Nunes, P. D. Vaz, Appl. Catal. A: Gen., 2015, Accepted.

  5. Comparing spectroscopic and electrochemical properties of complexes of type [Cp’M(η-C3H5)(CO)2] (Cp’ = Cp, Ind, Flu; M=Mo, W): a complementary experimental and DFT study I. S. Gonçalves, L. F. Veiros, C. A. Gamelas, C. Cabrita, M. J. Calhorda, C. F.G.C. Geraldes, J. Green, E. Packham, M. G. B. Drew, V. Félix, A. G. Santos, C. C. Romão, J. Organomet. Chem., 2015, Accepted.

  6. Asymmetric Binuclear Ni(II) And Cu(II) Schiff Base Metallopolymers S. Realista, A. S. Viana, B. P. Cardoso, A. M. Botelho do Rego, P. D. Vaz, A. I. Melato, P. N. Martinho, M. J. Calhorda, RSC Adv., 2015, 5, 39495-39504.

  7. Molybdenum(II) catalyst precursors in olefin oxidation reactions C.D. Nunes, M. J. Calhorda, Inorg. Chim. Acta, 2015, 431, 122-131.

  8. Vanadyl cationic complexes as catalysts in olefin oxidation C. D. Nunes, P. D. Vaz, V. Félix, L. F. Veiros, T. Moniz, M. Rangel, S. Realista, A. C. Mourato, M. J. Calhorda, Dalton Trans. 2015, 44, 5125-5138.

  9. How the Intercalation of Phenanthroline Affects the Structure, Energetics and Bond Properties of DNA Base Pairs. Theoretical Study Applied to Adenine-Thymine and Guanine-Cytosine Tetramers A. Gil, V. Branchadell, M.J. Calhorda, J. Chem. Theory Comput., 2015, 11, 27142728.

  10. Fe(III) SalEen derived Schiff base complexes as potential contrast agents B. P. Cardoso, A. I Vicente, J. B. J Ward, P. J. Sebastião, F. V. Chávez, S. Barroso, A. Carvalho, S. J. Keely, P. N. Martinho, M. J. Calhorda, Inorg. Chim. Acta, 2015, 432, 258-266.

  11. Molecular details of INH-C10 binding to wt KatG and to its S315T mutant V. H. Teixeira, C. Ventura, R. Leitão, C. Ràfols, E. Bosch, F. Martins, and M. Machuqueiro, Mol. Pharm., 2015, 12, 898-909.

  12. Constant-pH molecular dynamics study of kyotorphin in an explicit bilayer P. R. Magalhães, M. Machuqueiro, A. M. Baptista, Biophys. J., 2015, 108, 2282-2290.

  13. Constant-pH MD simulations of an oleic acid bilayer D. Vila-Viçosa, V. H. Teixeira, A. M. Baptista, M. Machuqueiro, J. Chem. Theory Comput., 2015, 11, 2367-2376.

  14. Raising awareness of new psychoactive substanves: chemical analysis and in vitro toxicity screening of "legal high" packages contaning synthetic cathinones A. M. Araújo, M. J. Valente, M. Carvalho, D. D. Silva, H. Gaspar, F. Carvalho, M. L. Bastos, P. G. Pinho, Arch. Toxicol. , 2015, 89, 757-771.

  15. Determination of mitragynine in urine matrices by bar adsorptive microextraction and HPLC analysis N. R. Neng, S. M. Ahmad, H. Gaspar, J.M.F. Nogueira, Talanta, 2015, 144, 105-109.

  16. The antimicrobial activity of heterotrophic bacteria isolated from the marine sponge Erylus deficiens (Astrophorida, Geodiidae) A. P. Graça , F. Viana, J. Bondoso, M. I. Correia, L. Gomes, M. Humanes, A. Reis, J. R. Xavier, H. Gaspar, O. M. Lage, Front Microbiol., 2015, 6, article 389, 1-14.

  17. 4F-PBP (4’-fluoro-α-pyrrolidinobutyrophenone), a new substance of abuse: structural characterization and purity NMR profiling H. Gaspar, S. Bronze, S. Ciríaco, C. Leal, A. Matias, J. Rodrigues, C. Oliveira, C. Cordeiro, S. Santos, Forensic Sci. Int., 2015, 252, 168-176.

  18. Pore size matters! Helical heterogeneous catalysts in olefin oxidation M.S. Saraiva, C.I. Fernandes, T.G. Nunes, M.J. Calhorda, C.D. Nunes, Appl. Catal. A, 2015, 180, 130-140.

  19. Catalytic activity of Mo(II) complexes in homogeneous and heterogeneous conditions M. V. Dias, M. S. Saraiva, P. Ferreira, and M. J. Calhorda, Organometallics, 2015, 34, 1465-1478.

  20. Luminescent Di- and Trinuclear Boron Complexes Based on Aromatic Iminopyrrolyl Spacer Ligands: Synthesis, Characterization and Application in OLEDs D. Suresh, C. S. B. Gomes, P. S. Lopes, C. A. Figueira, B. Ferreira, P. T. Gomes, R. E. Di Paolo, A. L. Maçanita, M. T. Duarte, A. Charas, J. Morgado, D. Vila-Viçosa, M. J. Calhorda, Chem. Eur. J., 2015, 21, 9133-9149.

  21. Synthesis and Reactivity of Taddol-Based Chiral Fe(II) PNP Pincer Complexes -Solution Equilibria between κ2 P,N- and κ3 P,N,P-Bound PNP Pincer Ligands C. Holzhacker, B. Stöger, M. D. Carvalho, L. P. Ferreira, E.Pittenauer, G. Allmaier, L. F. Veiros, S. Realista, A. Gil, M. J. Calhorda, D. Müller, K. Kirchner, Dalton Trans., 2015, 44, 13071-13086.

  1. On the treatment of ionic strength in biomolecular simulations of charged lipid bilayers, D. Vila-Viçosa, V. H. Teixeira, H. A. F. Santos, A. M. Baptista, M. Machuqueiro, M., J. Chem. Theory Comput., 2014, 10, 5483-5492.

  2. Marine coatings: a systematic study on structure-property relationship of potential covalently immobilized biocides, E. R. Silva, O. Ferreira, J. C.M. Bordado, H.-C. Fang, S.t Downie, S.n M. Olsen, Transport Research Arena, 2014, Online.

  3. Synthesis, Cytotoxic and Hydrolytic Studies of Titanium Complexes Anchored by a Tripodal Diamine Bis(phenolate) Ligand, S. Barroso, A.M. Coelho, S. Gómez-Ruiz, M.J. Calhorda, Ž. Žižak, G. N. Kaluđerović, A.M. Martins, Dalton Trans., 2014, 43, 17422-17433.

  4. Modelling the Luminescence of Extended Solids: the example of a Highly Luminescent MCM-41 Impregnated with a Eu3+ β-diketonate complex, M. Nolasco, M. R. R. Felício, T. G. Nunes, P. Vaz, A. Botas, P. R. Claro, R. Ferreira, R. O. Freire, P. D. Vaz, L. D. Carlos, C. D. Nunes, J. Mater. Chem. C, 2014, 2, 9701-9711.

  5. Organometallic Mo complex anchored to magnetic iron oxide nanoparticles as highly recyclable epoxidation catalyst, C. I. Fernandes, M. D. Carvalho, L. P. Ferreira, C. D. Nunes, P. D. Vaz, J. Organomet. Chem., 2014, 760, 2-10.

  6. Synthesis Characterization and Cytotoxicity of Cyclopentadienyl Ruthenium(II) Complexes Containing Carbohydrate-Derived Ligands, P. Florindo, I. J. Marques, C. D. Nunes, A. C. Fernandes, J. Organomet. Chem., 2014, 760, 240-247.

  7. Colorless aegirine in metamorphic rocks from Bayan Obo (Inner Mongolia): lack of charge transfer transitions as possible explanation, I. Ribeiro da Costa, P. C. R. Rodrigues, F. J. A. S. Barriga, P. A. Rona, C. D. Nunes, P. D. Vaz, Eur. J. Minerology, 2014, 25, 987-993.

  8. Advantageous delivery of Nifedipine from inorganic materials showing increased solubility and biocompatibility, I. J. Marques, P. D. Vaz, A. C. Fernandes, C. D. Nunes, Micropor. Mesopor. Mater., 2014, 183,192-200.

  9. Highly enantioselective olefin epoxidation controlled by helical confined environments, C. I. Fernandes, M. S. Saraiva, T. G. Nunes, P. D. Vaz, C. D. Nunes, J. Catal., 2014, 309, 21-32.

  10. A simulated intermediate state for folding and aggregation provides insights into ΔN6 β2-microglobulin amyloidogenic behavior, S. G. Estácio, H. Krobath, D. Vila-Viçosa, M. Machuqueiro, E.I. Shakhnovich, P.F.N. Faísca, PLoS Comput. Biol., 2014, 10, e1003606.

  11. Protonation of DMPC in a bilayer environment using a linear response approximation, V. H. Teixeira, D. Vila-Viçosa, A. M. Baptista, M. Machuqueiro, J. Chem. Theory Comput., 2014, 10, 2176-2184.

  12. Why a diaminopyrrolic tripodal receptor binds mannosides in acetonitrile but not in water?, D. Vila-Viçosa, O. Francesconi, M. Machuqueiro, Beilstein J. Org. Chem., 2014, 10, 1513-1523.

  13. Influence of activated carbons porous structure on iopamidol adsorption, A.S. Mestre, M. Machuqueiro, M. Silva, R. Freire, I.M. Fonseca, S.C.S. Santos, M.J. Calhorda, A.P. Carvalho, Carbon, 2014, 77, 607-615.

  14. Synthesis, crystal structure and EPR spectroscopic analysis of novel copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands , J. Kitchen, P. N. Martinho, G. G. Morgan. T. Gunnlaugsson, Dalton Trans., 2014, 43, 6468-6479.

  15. The influence of molecular mobility on the properties of gold nanoparticle organic ligand networks, E. J. Devid, P. N. Martinho, M. V. Kamalakar, Ú. Prendergast, C. Kübel, T. Lemma, J.-F. Dayen, T. E. Keyes, B. Doudin, M. Ruben, S. J. van der Molen, Beilstein J. Nanotechnol., 2014, 5, 1664-1674.

  16. Cationic Half-Sandwich Iron(II) and Iron(III) Complexes with N-Heterocyclic Carbene Ligands, J. M. S. Cardoso, A. Fernandes, B.P. Cardoso, M.D.Carvalho, L.P. Ferreira, M.J. Calhorda, B. Royo, Organometallics, 2014, 33, 5670-5677.

  17. Four- and five-coordinate high-spin iron(II) complexes bearing bidentate soft/hard SN ligands based on 2-aminopyridine, C. Holzhacker, M. J. Calhorda, A. Gil, M. D. Carvalho, L. P. Ferreira, K. Mereiter, B. Stöger, E. Pittenauer, G. Allmaier, K. Kirchner, Polyhedron, 2014, 81, 45-55.

  18. CNN Pincer Ruthenium Catalysts for Transfer and H2 Hydrogenation of Ketones: Experimental and Computational Studies, W. Baratta, M. J. Calhorda, P. J. Costa, G. Esposito, E. Herdtweck, S. Magnolia, C.Mealli, A. Messaoudi, S. A. Mason, L. F. Veiros, Chem. Eur. J., 2014, 20, 13603-13617.

  19. Successful oxidation of Ph2P(CH2)nPPh2 (n = 2, 4, 6) by tellurium leading to Ph2P(Te)(CH2)nP(Te)Ph2, L. Jeremias, M. Babiak, V. Kubát, M.J. Calhorda, Z. Trávníček, J.Novosad, RSC Adv., 2014, 4, 15428-15430.

  20. Six-Coordinate High-Spin Iron(II) Complexes with Bidentate PN Ligands based on 2-Aminopyridine - New Fe(II) Spin Crossover Systems, C. Holzhacker, M. J. Calhorda, A. Gil, M. D. Carvalho, L. P. Ferreira, B. Stöger, K. Mereiter, M. Weil, D. Müller, P. Weinberger, E. Pittenauer, G. Allmaier, K. Kirchner, Dalton Trans., 2014, 43, 11152-11164.

  21. One-Electron Oxidation of ReCp(CO)2L (L = PPh3, η2-2-butene, η-diphenylacetylene): Electrochemical, Spectroscopic and Computational Studies of the Electronic Properties and Dimerization Tendencies of 17-Electron Rhenium Complexes, D. Chong, V. H. Teixeira, M. J. Calhorda, W. E. Geiger, Organometallics, 2014, 33, 4706-4715.

  22. Dinuclear Zinc N-heterocyclic Carbene Complexes for either the Controlled ROP of lactide or the Controlled Degradation of Polylactide Under Mild Conditions, C. Fliedel, D. Vila-Viçosa, M. J. Calhorda, S.l Dagorne, T. Avilés, ChemCatChem, 2014, 20, 1357-1367.

  23. Tunable Fluorophores based on 2-(N-Arylimino)pyrrolyl Chelates of Diphenylboron: Synthesis, Structure, Photophysical Characterization and Application in OLEDs, D. Suresh, P. S. Lopes, B. Ferreira, C. A. Figueira, C. S. B. Gomes, P. T. Gomes, R. E. Di Paolo, A. L. Maçanita, M. T. Duarte, A. Charas, J. Morgado, M. J. Calhorda, Chem. Eur. J., 2014, 20, 4126-4140.

  24. Solvent-Dependent Formation of Os(0) Complexes by Electrochemical Reduction of [Os(CO)(bpy)(L)Cl2] (bpy = 2,2'-bipyridine; L = Cl-, PrCN), J. Tory, L. King, A. Maroulis, M. Haukka, M. J. Calhorda and F. Hartl, Inorg. Chem., 2014, 53, 1382-1396.

  25. Unveiling the dual role of the cholinium hexanoate ionic liquid as solvent and catalyst in suberin depolymerisation, R. Ferreira, H. Garcia, A. F. Sousa, M. Guerreiro, F. J. S. Duarte, C. S. R. Freire, M. J. Calhorda, A. J. D. Silvestre, W. Kunz, L. P. N. Rebelo, C. da Silva Pereira, RSC Adv., 2014, 3, 2993-3002.

  26. Solution and solid state properties of Fe(III) complexes bearing N-ethyl-N-(2-aminoethyl)salicylaldiminate ligands, P. N. Martinho, A. I. Vicente, S. Realista, M. S. Saraiva, A. I. Melato, L. P. Ferreira, M. D. Carvalho, J. Organomet. Chem., 2014, 760, 48-54.

  27. New Mo(II) complexes in MCM-41 and silica: Synthesis and catalysis, M. S. Saraiva, C. I. Fernandes, T. G. Nunes, C. D. Nunes, M. J. Calhorda, J. Organomet. Chem., 2014, 751, 443-452

  28. Toxicity of ionic liquids prepared from biomaterials, W. Gouveia, T. Jorge, S. Martins, M. Meireles, M. Carolino, C. Cruz, T.V. Almeida, M.E.M. Araújo, J. Chemoshere, 2014, 104, 51-56.

  29. Strong Inhibition of Thioredoxin Reductase by Highly Cytotoxic Gold(I) Complexes. DNA Binding Studies, Lourdes Ortego, Fátima Cardoso, Soraia Martins, María F. Fillat, Antonio Laguna, Margarida Meireles, M. Dolores Villacampa, M. Concepción Gimeno, J. Inorganic Biochemistry, 2014, 130, 342-37.

  30. Marketed Marine Natural Products in the Pharmaceutical and Cosmeceutical Industries: Tips for Success, A. Martins, H. Vieira, H. Gaspar, S. Santos, Marine Drugs., 2014, 12, 1066-1101.

  1. Essential Oil Characterization of Two Azorean Cryptomeria japonica Populations and Their Biological Evaluations, C. Moiteiro, T. Esteves, L. Ramalho, R. Rojas, S. Alvarez, S. Zacchino, H. Bragança, Nat. Prod. Commun., 2013, 8, 1785-1790.

  2. Drug-membrane interaction studies applied to N'-acetyl-rifabutin, M. Pinheiro, M. Arêde, J. M. Caio, C. Moiteiro, M. Lúcio, S. Reis, Eur. J. Pharm. Biopharm., 2013, 85, 597-603.

  3. Unraveling the Conformational Determinants of Peptide Dendrimers Using Molecular Dynamics Simulations, L. Filipe, M. Machuqueiro, T. Darbre, A. M. Baptista, Macromolecules, 2013, 46, 9427-9436

  4. Structural Effects of pH and Deacylation on Surfactant Protein C in an Organic Solvent Mixture: A Constant-pH MD Study, C. A. Carvalheda, S. R. Campos, M. Machuqueiro, A. M. Baptista, J. Chem. Inf. Model., 2013, 53, 2979-2989

  5. Supercritical, ultrasound and conventional extracts from carob (Ceratonia siliqua L.) biomass: Effect on the phenolic profile and antiproliferative activity, L. B. Roseiro, L. C. Duarte, D. L. Oliveira, R. Roque, M. G. Bernardo-Gil, A. I. Martins, C. Sepúlveda, J. Almeida, M. Meireles, F. M. Gírio, A. P. Rauter, Industrial Crops and Products, 2013, 47, 132-138.

  6. Antimicrobial Activity of Heterotrophic Bacterial Communities from the Marine Sponge Erylus discophorus (Astrophorida, Geodiidae), Graça, J. Bondoso, H. Gaspar, M. C. Monteiro, M. de la Cruz, D. Oves-Costales, F. Vicente, O. M. Lage, PLoS ONE, 2013, 8, e78992.

  7. Conformational Study of GSH and GSSG Using Constant-pH Molecular Dynamics Simulations, D. Vila-Viçosa, V. H. Teixeira, H. A. F. Santos, M. Machuqueiro, J. Phys Chem. B, 2013, 117, 7507-7517.

  8. Tuning the Bioactivity of Tensioactive Deoxy Glycosides to Structure: Antibacterial Activity Versus Selective Cholinesterase Inhibition Rationalized by Molecular Docking, A. Martins, M. S. Santos, C. Dias, P. Serra, V. Cachatra, J. Pais, J. Caio, V. H. Teixeira, M. Machuqueiro, M. S. Silva, A. Pelerito, J. Justino, M. Goulart, F. V. Silva, A. P. Rauter, Eur. J. Org. Chem., 2013, 2013, 1448-1459.

  9. Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes, S. Barroso, F. Madeira, M. J. Calhorda, M. J. Ferreira, M. T. Duarte, A. M. Martins, Inorg. Chem., 2013, 52, 9427-9439.

  10. Cytotoxicities of Polysubstituted Chlorodicarbonyl(cyclopentadienyl) and (Indenyl)ruthenium Complexes, D. Mavrynsky, J. Rahkila, D. Bandarra, S. Martins, M. Meireles, M. J. Calhorda, I. J. Kovács, I. Zupkó, M. M. Hänninen, R. Leino, Organometallics, 2013, 32, 3012-3017.

  11. Tris(organotin)tungstogermanate, a Sandwich Organometallic Derivative of a Keggin-Type Polyoxometalate: Synthesis and DFT Study, H. Liu, N. A. G. Bandeira, V. Félix, M. J. Calhorda, Eur. J. Inorg. Chem., 2013, 2013, 1713-1719.

  12. Mo(II) complexes of 8-aminoquinoline and their immobilization in MCM-41, M. S. Saraiva, C. D. Nunes, T. G. Nunes, M. J. Calhorda, Appl. Catal. A, 2013, 455, 172-182.

  13. Can self-assembly of copper(II) picolinamide building blocks be controlled?, M. Ðakovic, D. Vila-Viçosa, N. A. G. Bandeira, M. J. Calhorda, B. Kozlevcar, Z. Jaglicic, Z. Popovic, CrystEngComm, 2013, 15, 8074-8087.

  14. Interactions of N '-acetyl-rifabutin and N '-butanoyl-rifabutin with lipid bilayers: A synchrotron X-ray study, M. Pinheiro, C. Nunes, J. M. Caio, C. Moiteiro, G. Brezesinski, S. Reis, Int. J. Pharm., 2013, 453, 560-568.

  15. Evaluation of the Structure-Activity Relationship of Rifabutin and Analogs: A Drug-Membrane Study, M. Pinheiro, C. Pereira-Leite, M. Arêde, C. Nunes, J. M. Caio, C. Moiteiro, J. J. Giner-Casares, M. Lúcio, G. Brezesinski, L. Camacho, S. Reis, ChemPhysChem, 2013, 14, 2808-2816.

  16. Effects of a novel antimycobacterial compound on the biophysical properties of a pulmonary surfactant model membrane, M. Pinheiro, M. Arêde, J. J. Giner-Casares, C. Nunes, J. M. Caio, C. Moiteiro, M. Lúcio, L. Camacho, S. Reis, Int. J. Pharm., 2013, 450, 268-277.

  17. The Influence of Rifabutin on Human and Bacterial Membrane Models: Implications for Its Mechanism of Action, M. Pinheiro, C. Nunes, J. M. Caio, C. Moiteiro, M. Lúcio, G. Brezesinski, S. Reis, J. Phys. Chem. B, 2013, 117, 6187-6193.

  18. Interplay of mycolic acids, antimycobacterial compounds and pulmonary surfactant membrane: a biophysical approach to disease, M. Pinheiro, J. J. Giner-Casares, M. Lúcio, J. M. Caio, C. Moiteiro, J. L.F.C. Lima, S. Reis, L. Camacho, Biochim. Biophys. Acta, Biomembr., 2013, 1828, 896-905.

  19. Charge Parametrization of the DvH-c3 Heme Group: Validation Using Constant-(pH,E) Molecular Dynamics Simulations, J. Henriques, P. J. Costa, M. J. Calhorda, M. Machuqueiro, J. Phys. Chem. B, 2013, 117, 70-82.

  20. Differential Interactions of Rifabutin with Human and Bacterial Membranes: Implication for Its Therapeutic and Toxic Effects, M. Pinheiro, M. Arêde, J. M. Caio, C. Moiteiro, M. Lúcio, S. Reis, J. Med. Chem., 2013, 56, 417-426.

  21. Pulsed current electrodeposition of Zn-Ag2S/TiO2 nanocomposite films as potential photoelectrodes, A. Gomes, A. Videira, O. C. Monteiro, C. D. Nunes, M. L. Carvalho, A. B. Lopes, J. Solid State Electrochem., 2013, 17, 2349-2259.

  1. Molecular Interaction of Rifabutin on Model Lung Surfactant Monolayers, M. Pinheiro, M. Lúcio, S. Reis, J. L.F.C. Lima, J. M. Caio, C. Moiteiro, M. T. Martín-Romero, L. Camacho, J. J. Giner-Casares, J. Phys. Chem. B, 2012, 116, 11635-11645.

  2. Inducing hysteretic spin crossover in solution, P. N. Martinho, Y. Ortin, B. Gildea, C. Gandolfi, G. McKerr, B. O'Hagan, M. Albrecht, G. G. Morgan, Dalton Trans., 2012, 41, 7461-7463.

  3. Template assembly of spin crossover 1D nanowires, P. N. Martinho, T. Lemma, G. Picardi, B. Gildea, R. J. Forster, T. E.Keyes, G. Redmond, G. G. Morgan, Angew. Chem. Int. Ed., 2012, 51, 12597-12601.

  4. Cooperative spin transition in a mononuclear Mn(III) complex, P. N. Martinho, B. Gildea, M. M. Harris, T. Lemma, A. D. Naik, H. Müller-Bunz, T. E. Keyes, Y. Garcia, G. G. Morgan, Angew. Chem. Int. Ed., 2012, 51, 11995-11999.

  5. Reversibility of Prion Misfolding: Insights from Constant-pH Molecular Dynamics Simulations, D. Vila-Viçosa, S.R.R. Campos, A.M. Baptista, M. Machuqueiro, J. Phys. Chem. B, 2012, 116, 8812-8821.

  6. An Oligosilsesquioxane Cage Functionalized with Molybdenum(II) Organometallic Fragments, N. L. Dias Filho, F. C. M. Portugal, J. M. F. Nogueira, P. Brandão, V. Félix, P. D. Vaz, Carla D. Nunes, L. F. Veiros, M. J. Villa de Brito, and M. J. Calhorda, Organometallics, 2012, 31, 4495-4503.

  7. Photophysical properties of iminopyrrolyl boron complexes: a DFT interpretation, M. J. Calhorda, D. Suresh, P. T. Gomes, R. E. Di Paolo, A. L. Maçanita, Dalton Trans., 2012, 41, 13210-13217.

  8. 1,1'-Bis(diphenylphosphino)ferrocene bridging two mono(cyclopentadienyl) cobalt moieties: synthesis, structure, electrochemistry and DFT studies, V. Rosa, S. Realista, A. Mourato, L. M. Abrantes, J. Henriques, M. J. Calhorda, T. Avilés, M. G. B. Drew, V. Félix, J. Organomet. Chem., 2012, 712, 52-56.

  9. Syntheses and photophysical properties of new iminopyrrolyl boron complexes and their application in efficient single-layer non-doped OLEDs prepared by spin coating, D. Suresh, C. S. B. Gomes, P. T. Gomes, R. E. Di Paolo, A. L. Maçanita, M. J. Calhorda, J. Morgado and M. T. Duarte, Dalton Trans., 2012, 41, 8502-8505.

  10. Clays in organic synthesis - preparation and catalytic applications, C. I. Fernandes, C. D. Nunes, P. D. Vaz, Curr. Org. Synthesis, 2012, 9, 670-694.

  11. Electronic structure of ytterbium bis-indenyl and -cyclopentadienyl α-diimines complexes: a DFT and MS-CASPT2 investigation, N. A. G. Bandeira, C. Daniel, A.Trifonov, M. J. Calhorda, Organometallics, 2012, 31, 4693-4700

  12. Structural preferences and isomerism in nickel(II) and copper(II) complexes with 3-hydroxypicolinic acid, B.-M. Kukovec, P. D. Vaz, M. J. Calhorda, Z. Popovica, Polyhedron, 2012, 39, 66-75.

  13. The influence of crystal packing on cis-trans isomerism in nickel(II) complexes with 3-hydroxypicolinic acid and on type of coordination polyhedron in copper(II) complexes, B.-M. Kukovec, P. D. Vaz, M. J. Calhorda, Z. Popovic, Polyhedron, 2012, 39, 66-75.

  14. Carbon/Nutrien balance in relation to biomass production and halogenated compounds content in the red alga Asparagopsis taxiformis (Bonnemaisoniaceae), L. Mata, H. Gaspar, R. Santos, Journal of Applied Phycology, 2012, 48, 248-253

  15. Electronic structure and properties of camphorimine Cu(I) coordination polymers, T. A. Fernandes, M. F. N. N. Carvalho, A. M. Galvão, N. A. G. Bandeira, M. J. Calhorda, A. M. Botelho do Rego, J. Polym. Sci. A Polym., 2012, 50, 1102-1110.

  16. Marine sponge melanin: a new source of an old biopolymer, M. Araujo, J. R. Xavier, C. D. Nunes, P. D. Vaz, M. Humanes, Strutural Chemistry, 2012, 23, 115-122

  17. Photocatalytic degradation of rhodamine B using Mo heterogeneous catalysts under aerobic conditions, N. U. Silva, T. G. Nunes, M. S. Saraiva, M. S. Shalamzari, P. D.Vaz, O. C. Monteiro, C. D. Nunes, Appl. Catal. B: Environmental, 2012, 113-114, 180-191

  18. Turning the game around: toxicity in a nudibranch-sponge predator-prey association, J. Cruz, H. Gaspar, G. Calado, Chemoecology, 2012, 22, 47-53

  19. The versatility of immobilized Mo complexes in organic transformations - epoxidation and metathesis reactions, P. D. Vaz, C. D. Nunes, Curr. Org. Chem., 2012, 1, 89-114.

  20. Pharmacophore insights into rpoB gene mutations in Mycobacterium tuberculosis rifampicin resistant isolates, R. Figueiredo, D. F. Ramos, C. Moiteiro, M. A. Medeiros, M. J. M. Curto, J. C. Menezes, R. H. Pando, P. E. A. Silva, M. C. Costa, Eur. J. Med. Chem., 2012, 47, 186.

  21. Evaluation of the binding ability of tetraaza[2]arene[2]triazine receptors anchoring L-alanine units for aromatic carboxylate anions, A. I. Vicente, J. M. Caio, J. Sardinha, C. Moiteiro, R. Delgado, V. Félix, Tetrahedron, 2012, 68, 670.

  22. Unveiling the Mechanisms of Catalytic Oxidation Reactions Mediated by Oxo-Molybdenum Complexes: A Computational Overview, M. J. Calhorda, P. J. Costa, Curr. Org. Chem., 2012, 16, 65-72.

  1. V2O5 nanowires with an intrinsic iodination activity leading to the formation of self-assembled melanin-like biopolymers, F. Natálio, R. André, S.A. Pihan, M. Humanes, R. Wever, W. Tremel, J. Mat. Chem., 2011, 32, 11923-11929.

  2. Biocatalytic formation of synthetic melanin: The role of vanadium haloperoxidases, L-DOPA and iodide, M. Nicolai, G Gonçalves, F. Natálio, M. Humanes, J. Inorg. Biochem., 2011, 105, 887-893.

  3. Conjugates of ferrocene with biological compounds. Coordination to gold complexes and antitumoral properties, M. C. Gimeno, H. Goitia, A. Laguna, M. E. Luque, M. D. Villacampa, C. Sepúlveda, M. Meireles, J. Inorg. Biochem., 2011, 105, 1373-1382.

  4. Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes, C. Holzhacker, C. M. Standfest-Hauser, M. Puchberger, K. Mereiter, L. F. Veiros, M. J. Calhorda, M. D. Carvalho, L. P. Ferreira, M. Godinho, F. Hartl, and K. Kirchner, Organometallics, 2011, 30, 6587-6601.

  5. Coordination-driven self-assembly of thiocyanate complexes of Co(II), Ni(II) and Cu(II) with picolinamide: a structural and DFT study, M. Dakovic, D. Vila-Viçosa, M. J. Calhorda, Z. Popovic, Cryst. Eng. Comm., 2011, 13, 5863-5871.

  6. A novel application of mesoporous silica material for extraction of pesticides, A. S. Barreto, A. Aquino, S.C.S. Silva, M. E. Mesquita, M. J. Calhorda, M.S. Saraiva, S. Navickiene, Mat. Letters, 2011, 65, 1357-1359.

  7. Is the prediction of pKa values by constant-pH molecular dynamics being hindered by inherited problems?, M. Machuqueiro, A. M. Baptista, Proteins: Struct. Funct. Bioinf., 2011, 79, 3437.

  8. Indenyl ring slippage in crown thioether complexes [IndMo(CO)2L]+ and C-S activation of trithiacyclononane: Experimental and theoretical studies, C. A. Gamelas, N. A. G. Bandeira, C. C. L. Pereira, M. J. Calhorda, E. Herdtweck, M. Machuqueiro, C. C. Romão, L. F. Veiros, Dalton Trans., 2011, 40, 10513.

  9. Composition and antimicrobial screening of the essential oil from the leaves and stems of Senecio atacamensis Phil. From Chile, J. Benites, F. Bravo , M. Rojas, R. Fuentes, C. Moiteiro, F. Venâncio, J. Chil. Chem. Soc., 2011, 56, 610.

  10. Performance evaluation of mesoporous host materials in olefin epoxidation using Mo(II) and Mo(VI) active species - inorganic vs. hybrid matrix, N. U. Silva, C. I. Fernandes, T. G. Nunes, M. S. Saraiva, C. D. Nunes, P. D. Vaz, Appl. Catal. A: Gen., 2011, 408, 105.

  11. Tuning the surface of mesoporous materials towards hydrophobicity - effects in olefin epoxidation, A. C. Ventura, C. I. Fernandes, M. S. Saraiva, T. G. Nunes, P. D. Vaz, C. D. Nunes, Current Inorganic Chemistry, 2011, 1, 156.

  12. Pyridine carboxylate complexes of Mo(II) as active catalysts in homogeneous and heterogeneous olefin epoxidation, M. Vasconcellos-Dias, S. R. M. M. de Aguiar, C. D. Nunes, P. D. Vaz, T. G. Nunes, M. J. Calhorda, Current Inorganic Chemistry, 2011, 1, 146.

  13. Polypropionates from Bulla occidentalis: chemical markers and trophic relationships in cephalaspidean molluscs, A. Cutignano, G. Calado, H. Gaspar, G. Cimino, A. Fontana, Tetrahedron Letters, 2011, 52, 4595-4597.

  14. Indenyl effect in dissociative reactions. Nucleophilic substitution in iron carbonyl complexes: a case study, M. J. Calhorda, L. F. Veiros, Dalton Trans., 2011, 40, 11138-11146.

  15. Benzene and Heterocyclic Rings Formation in Cycloaddition Reactions Catalyzed by RuCp Derivatives: DFT Studies, M. J. Calhorda, P. J. Costa, K. A. Kirchner, Inorg. Chim. Acta, 2011, 374, 24-35.

  16. Unfolding the conformational behavior of peptide dendrimers: insights from molecular dynamics simulations, Filipe, L.C.S., Machuqueiro, M., Baptista, A.M., J. Am. Chem. Soc., 2011, 133, 5042-5052

  17. Synthesis and properties of Mo(II) complexes with N heterocyclic ligands, S. Quintal, S. Fedi, J. Barbetti, P. Pinto, V. Félix, M. G. B. Drew, P. Zanello, M. J. Calhorda, J. Organomet. Chem., 2011, 696, 2142-2152

  18. Synthesis of Tetrahydronaphthalene Lignan Esters by Intramolecular Cyclization of Ethyl p-Azidophenyl-2-phenylalkanoates and Evaluation of the Growth Inhibition of Human Tumor Cell Lines, O. Pinto, J. Sardinha, P. Vaz, F. Piedade, M. J. Calhorda, R. Abramovitch, N. Nazareth, M. Pinto, M. S. J. Nascimento, A. P. Rauter, J. Med. Chem., 2011, 54, 3175-3187

  19. Chemoselective sulfide and sulfoxide oxidations by CpMo(CO)3Cl/HOOR: a DFT mechanistic study, L. F. Veiros, C. A. Gamelas, M. J. Calhorda, C. C. Romão, Organometallics, 2011, 30, 1454-1465

  20. Chemical Composition of the Essential oil of Xenophyllum poposum, J. Benites, J. Lopez, L. E. Rojo, P. Diaz, M. Rojas, R. Fuentes, C. Moiteiro, F. Venancio, Chemistry of Natural Compounds, 2011, 46 (6), 988-989.

  21. Reaction of Spiro[2.4]hepta-4,6-diene with Molybdenum(II) Indenyl Compounds: Effects of Substitution in the Indenyl Ligand, J. Honzicek, C. C. Romão, M. J. Calhorda, A. Mukhopadhyay, J. Vinklarek, Z. Padelkova, Organometallics, 2011, 30, 717-725.

  22. Effects of hydrogen peroxide on the content of major volatile halogenated compounds in the red alga Asparagopsis taxiformis (Bonnemaisoniaceae), L. Mata, H. Gaspar, F. Justino, R. Santos, Journal of Applied Phycology, 2011, 23, 827-832.

  23. V2O5 Nanowires with an Intrinsic Peroxidase-Like Activity, R. André, F. Natálio, M. Humanes, J. Leppin, K. Heinze, R. Wever, H.-C. Schröder, W. E. G. Müller, W. Tremel, Advanced Functional Materials, 2011, 21, 501-509

  1. The role of Cp vs Ind in Mo(II) spirodiene complexes reactivity: a DFT mechanistic study, L. F. Veiros, J. Honzícek, C. C. Romão, M. J. Calhorda, Inorg. Chim. Acta 363, 555-561.

  2. Constant-pH Molecular Dynamics Simulation Reveal a β-Rich Form of the Human Prion Protein. Campos, S., Machuqueiro, M., Baptista, A.M. J. Phys. Chem. B, 2010, 114, 12692-12700

  3. Membrane-induced conformational changes of kyotorphin revealed by molecular dynamics simulations. Machuqueiro, M., Campos, S., Soares, C.M., Baptista, A.M., J. Phys. Chem. B, 2010, 114, 11659-11667

  4. Antimycobacterial Metabolites from Plectranthus. Royleanone Derivatives Against Mycobacterium tuberculosis Strains, P. Rijo, M. F. Simões, A. P. Francisco, R. Rojas, R. H. Gilman, A. J. Vaisberg, B. Rodríguez, C. Moiteiro, Chemistry & Biodiversity, 2010, 7, 922-932.

  5. Coloration and defense in the nudibranch gastropod Hypselodoris fontandraui, M. Harber, S. Cerfeda, M. Carbone, G. Calado, H. Gaspar, R. Neves, V. Maharajan, G. Cimino, M. Gavagnin, M. T. Ghiselin, E. Mollo, The Biological Bulletin, 2010, 218, 181-188.

  6. Highly Efficient Reduction of Sulfoxides with the System Borane/Oxo-rhenium Complexes, A. C. Fernandes, J. A. Fernandes, C. C. Romão, L. F. Veiros, M. J. Calhorda, Organometallics, 2010, 29, 5517-5525.

  7. Chemoselectivity as a Delineator of Cuprate Structure in Catalytic 1,4-Addition of Diorganozincs to Michael Acceptors, M. Welker, S. Woodward, L. F. Veiros, M. J. Calhorda, Chem. Eur. J., 2010, 16, 5620-5629.

  8. Disappearing and concomitant polymorphism of nickel(II) complexes with 6-hydroxypicolinic acid. Structural and DFT studies, B.-M. Kukovec, P. D. Vaz, M. J. Calhorda, Z. Popovi? Cryst. Growth Des., 2010, 10, 3685-3692.

  9. Heteropolynuclear Gold Complexes with Metallophilic Interactions. Modulation of the Luminescent Properties, M. J. Calhorda, C. Ceamanos, O. Crespo, M. C. Gimeno, A. Laguna, C. Larraz, P. D. Vaz, M. D. Villacampa, Inorg. Chem., 2010, 49, 8255-8269.

  10. Olefin Epoxidation catalyzed by η5-Cyclopentadienyl Molybdenum Compounds: a computational study, P. J. Costa, M. J. Calhorda, F. E. Kühn, Organometallics, 2010, 29, 303-311.

  11. Mo(II) complexes: A new family of cytotoxic agents? D. Bandarra, M. Lopes, T. Lopes, J. Almeida, M. S. Saraiva, M. Vasconcellos-Dias, C. D. Nunes, V. Felix, P. Brandão, P. D. Vaz, M. Meireles, M. J. Calhorda, Journal of Inorganic Biochemistry, 2010, 104, 1171-1177.

  12. A new role for layered double hydroxides hybrid materials - uptake and delivery of small molecules into the gas phase, P. D. Vaz, C. D. Nunes, New J. Chem., 2010, 34, 541.

  13. The effect of immobilization on the catalytic activity of molybdenum h3-allyldicarbonyl complexes with nitrogen donor ligands bearing N-H groups, M. S. Saraiva, C. D. Nunes, T. G. Nunes, M. J. Calhorda, J. Mol. Cat. A, 2010, 321, 92.

  14. Bio-inspired Mo(II) complexes as active catalysts in homogeneous and heterogeneous olefin epoxidation, C. I. Fernandes, N. U. Silva, P. D. Vaz, T. G. Nunes, C. D. Nunes, Applied Catalysis A: Gen., 2010, 384, 84.

  1. Striking Differences between the Solution and Solid-State Reactivity of Iron PNP Pincer Complexes with Carbon Monoxide, David Benito-Garagorri, Luis Gonalo Alves, Michael Puchberger, Kurt Mereiter, Luis F. Veiros, Maria Jos Calhorda, Maria Deus Carvalho, Liliana P. Ferreira, Margarida Godinho and Karl Kirchner, Organometallics, 2009, 28, 6902-6914.

  2. Molecular Dynamics at Constant pH and Reduction Potential: Application to Cytochrome c3, M. Machuqueiro, A. M. Baptista, J. Am. Chem. Soc. 2009, 131, 12586-12594.

  3. Comparative study of chemical defences from two allopatric North Atlantic subspecies of Hypselodoris picta (Mollusca: Opisthobranchia), H. Gaspar, A. I. Rodrigues, G. Calado, Açoreana, 2009, 6, 1347-143.

  4. Does a Shell Matters for Defence? Deterrence in Two Cephalaspid Gastropods with Calcified Shells, R. Neves, H. Gaspar, G. Calado, Journal of Molluscan Studies, 2009, 75, 127-131.

  5. Composition and Biological Activity of the Essential Oil of Peruvian Lantana camara, J. Benites, C. Moiteiro, G. Miguel, L. Rojo, J. López, F. Venâncio, L. Ramalho, S. Feio, S. Dandlen, H. Casanova and I. Torre, J. Chilean Chem. Soc., 2009, 54(4), 379-384.

  6. Antioxidant capacity of the essential oils from Lavandula luisieri, L. stoechas subsp. lusitanica, L. stoechas subsp. lusitanica x L. luisieri and L. viridis grown in Algarve (Portugal), F. Matos, M. G. Miguel, J. Duarte, F. Venâncio, C. Moiteiro, A. I. D. Correia, A. C. Figueiredo, J. G. Barroso, L. G. Pedro, Journal of Essential Oil Research, 2009, 21, 327-336.

  7. Synthesis and evaluation of rifabutin analogs against Mycobacterium avium and H37Rv, MDR and NRP Mycobacterium tuberculosis. R. Figueiredo, C. Moiteiro, M. A. Medeiros, P. Almeida da Silva, D. Ramos, F. Spies, M.O. Ribeiro, M. C. S. Lourenço, I.N. Júnior, M. M. Gaspar, E. Cruz, M. J. M. Curto, Franzblau S.G., H. Orozco E., D Aguilar L, R. H. Pando and M. Céu Costa, Bioorganic & Medicinal Chemistry, 2009, 17, 503-511.

  8. Influence of Soil Fertility on Dye Flavonoids Production in Weld (Reseda luteola L.) Accessions from Portugal Helena Gaspar, Cristina Moiteiro, Antónia Turkman, João Coutinho, Valdemar Carnide. J. Sep. Sci. 2009, 32, 4234-4240.

  9. Synthesis, Structure and Photophysical Characterization of Blue-Green Luminescent Zinc Complexes Containing 2-Iminophenanthropyrrolyl Ligands, C. S. B. Gomes, P. T. Gomes, M. T. Duarte, R. E. Di Paolo, A. L. Maçanita, M. J. Calhorda, Inorg. Chem. 2009, 48, 11176-11186.

  10. MoO2Cl2 as a novel catalyst for C-P bond formation and for hydrophosphonylation of aldehydes, R. G. de Noronha, P. J. Costa, C. C. Romão, M. José Calhorda, A. C. Fernandes, Organometallics 2009, 28, 6206-6212

  11. Soluble Redox-Active Polymetallic Chains [{Ru0(CO)(L)(bpy)}m]n (bpy = 2,2'-bipyridine, L = PrCN, Cl-; m = 0, -1): Electrosynthesis and Characterization, F. Hartl, A. K. Renfrew, F. Lafolet, T. Mahabiersing, M. J. Calhorda, S. Chardon-Noblat, M. Haukka, A. Deronzier, Inorg. Chem. 2009, 48, 8233-8244.

  12. Expanding the role of oxo-molybdenum(VI) catalysts: a DFT interpretation of X-H activation leading to reduction or oxidation, M. J. Calhorda, P. J. Costa, Dalton Trans. 2009, 8155 - 8161

  13. Mapping the Mechanism of Nickel-Ferrophite Catalysed Methylation of Baylis-Hillman Derived SN2’ Electrophiles, A. Nowak, M. J. Calhorda, P. J. Costa, S. Woodward, Eur. J. Org. Chem. 2009, 898-903.

  14. Kinetic Studies on the Oxidation of n5-Cyclopentadienyl Methyl Tricarbonyl Molybdenum(II) and the use of its Oxidation Products as Olefin Epoxidation Catalysts, A. Al-Ajlouni, D. Veljanovski, A. Capapé, J. Zhao, E. Herdtweck, M. J. Calhorda, F. E. Kühn, Organometallics 2009, 28, 639-645.

  15. Influence of the Ligand Donor Atoms on the in vitro Stability of Rhenium(I) and Technetium (I)-99m Complexes with Pyrazole-containing Chelators: Experimental and DFT Studies, C. Moura, C. Fernandes, L. Gano, A. Paulo, I. C. Santos, I. Santos, M. J. Calhorda, J. Organomet. Chem. 2009, 694, 950-958.

  16. Activity of Mo(II) allylic complexes supported in MCM-41 as oxidation catalysts precursors, M. S. Saraiva, N. L. Dias Filho , C. D. Nunes, P. D. Vaz, T. G. Nunes, M. J. Calhorda, Microporous and Mesoporous Materials 2009, 117, 670-677.

  17. Silver(I) and copper(I) complexes with ferrocenyl ligands bearing imidazole or pyridyl substituents, S. Quintal, M. C. Gimeno, A. Laguna, M. J. Calhorda, J. Organomet. Chem. 2009, 695, 558-566

  1. H. Gaspar, S. Santos, M. Carbone, A. S. Rodrigues, A. I. Rodrigues, S. S. Feio, M. Humanes, M.Gavagnin, Isomeric furanosesquiterpenes from the Portuguese marine sponge Fasciospongia sp. Journal of Natural Products 71 (12), 2049-2052, 2008.

  2. Nitrogen donor ligands bearing N-H groups: effect on catalytic and cytotoxic activity of molybdenum h3-allyldicarbonyl complexes, M. S. Saraiva, S. Quintal, F. C. M. Portugal, T. A. Lopes, V. Félix, J. M. F. Nogueira, M. Meireles, M. G. B. Drew, M. J. Calhorda, J. Organomet. Chem. 2008, 693, 3411-3418.

  3. Photoinduced bond cleavage in CH3ReO3: excited states dynamics, P. J. Costa, M. J. Calhorda, S. Villaume, C. Daniel, New J. Chem. 2008, 32, 1904-1909.

  4. Weak n2 olefin bonding in Pd and Pt allyl complexes containing chiral monodentate ligands with alpha-phenyl methyl amine side chains, S. Filipuzzi, P. S. Pregosin, P. J. Costa, M. J. Calhorda, Organometallics 2008, 27, 2949-2958.

  5. Hydrogen activation by high-valent oxo-molybdenum(VI) and -rhenium(VII) and (V) compounds, P. M. Reis, C. C. Romão, P. J. Costa, M. J. Calhorda, B. Royo Dalton Trans. 2008, 1727-1733.

  6. The [Re(n5-C5H4R)(CO)3]+ Family of 17-Electron Compounds: Monomer/Dimer Equilibria and Other Reactions, D. Chong, D. R. Laws, A. Nafady, P. J. Costa, A. L. Rheingold, M. J. Calhorda, W. E. Geiger J. Am. Chem. Soc. 2008, 130, 2692-2703.

  7. Immobilisation of n3-allyldicarbonyl complexes of Mo(II) with bidentate nitrogen ligands into aluminium pillared clays, J. C. Alonso, P. Neves, C. Silva, A. A. Valente, P. Brandão, S. Quintal, M. J. Brito, P. Pinto, V. Félix, M. G. B. Drew, J. Pires, A. P. Carvalho, M. J. Calhorda, P. Ferreira European Journal of Inorganic Chemistry 2008, 1147-1156.

  8. Synthesis and properties of new trinuclear Mo(II) complexes containing imidazole and benzimidazole ferrocene units. S. Quintal, J. Matos, I. Fonseca, V. Félix, M. G. B. Drew, N. Trindade, M. Meireles, M. J. Calhorda. Inorganica Chimica Acta 2008, 361, 1584-1596.

  9. Isomeric furano-sesquiterpenes from the Portuguese marine sponge Fasciospongia sp. H. Gaspar, S. Santos, A. S. Rodrigues, A. I. Rodrigues, M. Humanes, M. Carbone and M. Gavagnin. J. Nat. Prod. 2008, 71, 2049-2052.

  10. Superoxide dismutase in the marine sponge Cliona celata. D. Marques, A. I. Esteves., J. Xavier, M. Almeida, M. Humanes. Mar. Biol., 2008,153, 807-813

  11. Pseudopolymorphism in Nickel(II) Complexes with 6-Methylpicolinate. Synthesis, Structural, Spectroscopic, Thermal, and Density Functional Theory Studies, B.-M. Kukovec, P. D. Vaz, Z. Popovic, M. J. Calhorda, K. Furic, G. Pavlovic, M. R. Linaric, Crystal Growth Design, 2008, 8, 3465-3473

  12. Mixed-Ligand Re Tricarbonyl Complexes Anchored on a (k2-H, S) Trihydro(mercaptoimidazolyl)borate: A Missing Binding Motif for Soft Scorpionates. M. Videira, L. Maria, A. Paulo, I. C. Santos, I. Santos, P. D. Vaz, M. J. Calhorda. Organometallics 2008, 27, 1334-1337

  13. Heptacoordinate tricarbonyl Mo(II) complexes as highly selective oxidation homogeneous and heterogeneous catalysts, M. Vasconcellos-Dias, C. D. Nunes, P. D. Vaz, P. Ferreira, P. Brandão, V. Félix, M. J. Calhorda, Jounal of Catalysis, 2008, 256, 301-311

  14. Synthesis and characterisation of organo-silica hydrophobic clay heterostructures for volatile organic compounds removal. C. D. Nunes, J. Pires, A. P. Carvalho, M. J. Calhorda, P. Ferreira. Microporous and Mesoporous Materials 2008, 111, 612-619

  15. Synthesis and catalytic properties of manganese(II) and oxovanadium(IV) complexes anchored to mesoporous MCM-41. T. A. Fernandes, C. D. Nunes, P. D. Vaz, M. J. Calhorda, P. Brandão, J. Rocha, I. S. Gonçalves, A. A. Valente, L. P. Ferreira, M. Godinho, P. Ferreira. Microporous and Mesoporous Materials, 2008, 112, 14-25

  1. Molybdenum n3-allyldicarbonyl complexes as a new class of precursors for highly reactive epoxidation catalysts with tert-butyl hydroperoxide. J. C. Alonso, P. Neves, M. J. Pires da Silva, S. Quintal, P. D. Vaz, C. Silva, A. A. Valente, P. Ferreira, M. J. Calhorda, V. Félix, M. G. B. Drew. Organometallics, 2007, 26, 5548 - 5556.

  2. Hyper-electronic Metal-Carborane Analogues of Cymantrene Anions: Electronic and Structural Non-Innocence of the Tricarbadecaboranyl Ligand. A. Nafady, R. Butterick III, M. J. Calhorda, P. J. Carroll, D. Chong, W. E. Geiger, L. G. Sneddon. Organometallics, 2007, 26, 4471 - 4482.

  3. Can five-membered Te2N2S cycles be considered aromatic? N. A. G. Bandeira, C. Corminboeuf, M. J. Calhorda. Structural Chemistry, 2007, 18, 841 - 847.

  4. Remote metal-arene ? bonding in organometallic complexes: a DFT study. P. J. Costa, M. José Calhorda, P. S. PregosinCollection of Czechoslovak. Chemical Communications, 2007, 72, 703-704.

  5. Vibrational study on the local structure of post-synthetic and hybrid mesoporous materials - are there fundamental distinctions? P. D. Vaz, C. D. Nunes, M. Vasconcellos-Dias, M. M. Nolasco, P. J. A. Ribeiro-Claro, M. J. Calhorda. Chemistry Eur. Journal, 2007, 13, 7874 - 7882.

  6. Pyridine carboxylate complexes of Mo(II) as active catalysts in homogeneous and heterogeneous polymerization. M. Vasconcellos-Dias, C. D. Nunes, P. D. Vaz, P. Ferreira, M. J. Calhorda. European Journal of Inorganic Chemistry, 2007, 2917-2925.

  7. A New Look at the Ylidic Bond in Phosphorous Ylides and Related Compounds: An Energy Decomposition Analysis Combined with a Domain-Averaged Fermi Hole Analysis. M. J. Calhorda, A. Krapp, G. Frenking. J. Physical Chemistry A, 2007, 111, 2859 - 2869.

  8. Geometry optimisation of a Ru(IV) allyl dicationic complex: a DFT failure? M. J. Calhorda, P. S. Pregosin, L. F. Veiros. Journal of Chemical Theory and Computation, 2007, 3, 665-670.

  9. Catalyzing aldehyde hydrosilylation with a Mo(VI) complex: a DFT study. P. J. Costa, C. C. Romão, A. C. Fernandes, B. Royo, P. M. Reis, M. J. Calhorda. Chemistry Eur. Journal, 2007, 13, 3934 -3941.

  10. Immobilization and Delivery of Sertraline using Inorganic Micro and Mesoporous Materials. C. D. Nunes, P. D. Vaz, A. C. Fernandes, P. Ferreira, C. C. Romão, M. J. Calhorda. European Journal of Pharmaceutics and Biopharmaceutics, 2007, 66, 357-365.

  1. Marine Sponge Cliona celata as a Potential Bioindicator. D. Marques, A. I. Esteves., J. Xavier, M. Almeida, M. Humanes. Metal Ions in Biology and Medicine, 2006, 9, 451- 456.

  2. Electrochemical Oxidation of [CoCpCo(CO)2]: Reaction of a 17 e-/ 18 e- Pair and Production of a Unique Dimer Radical. A. Nafady, P. J. Costa, M. J. Calhorda, W. E. Geiger. Journal of the American Chemical Society, 2006, 128, 16587-16599.

  3. Hydrophobic Porous Clay Benzene-Silica Hybrid Heterostructure and its Application in the Adsorption of Volatile Organic Compounds. P. Ferreira, C. D. Nunes, J. Pires, A. P. Carvalho, P. Brandão, J. Rocha. Materials Science Forum, 2006, 514-516, 470-474.

  4. The Photochemistry of Methyltrioxorhenium Revisited: a DFT/TD-DFT and CASSCF/MS-CASPT2 Theoretical Study. P. J. Costa, M. J. Calhorda, J. Bossert, C. Daniel, C. C. Romão. Organometallics, 2006, 25, 5235-5241.

  5. Ring slippage vs. Charge Transfer in the Reductive Chemistry of [IndMo(CO)2(a-diimine)]+ Cations. C. C. L. Pereira, P. J. Costa, M. J. Calhorda, A. C. Freire, S. S. Rodrigues, E. Herdtweck, C. C. Romão. Organometallics, 2006, 25, 5223-5234.

  6. Diffusion and Overhauser NMR Studies on Dicationic Palladium Complexes of BINAP. D. Nama, D. Schott, P. S. Pregosin, L. F. Veiros, M. J. Calhorda. Organometallics, 2006, 25, 4596-4604.

  7. High Yield Ruthenium Catalysed Friedel-Crafts Type Allylation Reactions Using Ru(IV) Dicationic Catalysts. I. Fernández, R. Hermatschweiler, F. Breher, P. S. Pregosin, L. F. Veiros, M. J. Calhorda. Angewandte Chemie International Edition, 2006, 45, 6386-6391.

  8. Synthesis and Ligand Properties towards Gold and Silver of the Ferrocenylamidobenzimidazole Ligand. M. J. Calhorda, P. J. Costa, P. N. Martinho, M. C. Gimeno, A. Laguna, S. Quintal, M. D. Villacampa. Journal of Organometallic Chemistry, 2006, 691, 4181-4188.

  9. New Polynuclear Mo-Fe Complexes with Ferrocenylamidobenzimidazole Ligands. P. N. Martinho, S. Quintal, P. Costa, S. Losi, V. Félix, M. C. Gimeno, A. Laguna, M. G. B. Drew, P. Zanello, M. J. Calhorda. European Journal of Inorganic Chemistry, 2006, 4096-4103.

  10. Group 11 Complexes with the Bis(3,5-dimethylpyrazol-1-yl)methane Ligand. How Secondary Bonds can Influence the Coordination Environment of Ag(I): the Role of Coordinated Water in [Ag2(?-L2)(OH2)2](OTf)2. M. J. Calhorda, P. J. Costa, O. Crespo, M. C. Gimeno, P. G. Jones, A. Laguna, M. Naranjo, S. Quintal, Y.-J. Shi, M. D. Villacampa. Dalton Transactions, 2006, 4104-4113.

  11. Synthesis and Characterisation of Hybrid Mesoporous Materials with the 1,4-Diazobutadiene Ligand. C. D. Nunes, P. D. Vaz, P. Brandão, J. Rocha, P. Ferreira, N. Bion, M. J. Calhorda. Microporous and Mesoporous Materials, 2006, 95, 104-111.

  12. Heptacoordinate Halocarbonyl Molybdenum(II) and Tungsten(II) Complexes as Heterogeneous Polymerization Catalysts. J. Gimenez, C. D. Nunes, P. D. Vaz, A. A. Valente, P. Ferreira and M. J. Calhorda. Journal of Molecular Catalysis A: Chemical, 2006, 256, 90-98.

  13. Formation of Pyridine from Acetylenes and Nitriles Catalyzed by RuCpCl, CoCp, and RhCp Derivatives - A Computational Mechanistic Study. G. Dazinger, M. Torres-Rodriguez, K. Kirchner, M. J. Calhorda. Journal of Organometallic Chemistry, 2006, 691, 4434-4445.

  14. Structural Preferences of Cyclopentadienyl and Indenyl Rings in Iridium(I) Carbene Complexes. M. Prinz, L. F. Veiros, M. J. Calhorda, C. C. Romão, E. Herdtweck, F. Kühn, W. H. Herrmann. Journal of Organometallic Chemistry, 2006, 691, 4446-4458.

  15. A DFT and MP2 Study of Luminescence of Gold(I) Complexes. P. J. Costa and M. J. Calhorda. Inorganica Chimica. Acta, 2006, 359, 3617-3624.

  16. Olefin Epoxidation with tert-Butyl Hydroperoxide Catalyzed by MoO2X2L Complexes - A DFT Mechanistic Study. L. F. Veiros, Â. Prazeres, P. J. Costa, C. C. Romão, F. E. Kühn, M. J. Calhorda. Dalton Transactions, 2006, 1383-1389.

  17. Synthesis, Structural Characterization and Theoretical Studies of Gold(I) and Gold(I)-Gold(III) Thiolate Complexes: Quenching of Gold(I) Thiolate Luminescence. M. Bardají, M. J. Calhorda, P. J. Costa, P. G. Jones, A. Laguna, M. Reyes Pérez, M. D. Villacampa. Inorganic Chemistry, 2006 45, 1059-1068.

  1. Hybrid Mesoporous MCM-41 Type Material Containing 1,4-Diazobutadiene Chelate Ligand in the Walls. P. Ferreira, C. D. Nunes, P. D. Vaz, N. Bion, P. Brandão, J. Rocha. Progress in Solid State Chemistry, 2005, 33, 106-113.

  2. Comparative Study on the Role of C-H...O Hydrogen Bonds in Some Small Ring Ketones. P. D. Vaz, P. J.A. Ribeiro-Claro. Structural Chemistry, 2005, 16, 287-293.

  3. The role of C-H···O Interactions in the Solid and Liquid-Phase Structures of Methyltrioxo Rhenium. P. D. Vaz, P. J.A. Ribeiro-Claro. European Journal of Inorganic Chemistry, 2005, 10, 1836-1840.

  4. C-H···O Hydrogen Bonding in 4-Phenyl Benzaldehyde: A Comparative Study in Solid Phase and in Solution. P. D. Vaz, A. M. Amado, B. J. Goodfellow, V. Felix, P. J.A. Ribeiro-Claro. Physical Chemistry Chemical Physics, 2005, 7, 3027-3034.

  5. Anodic Preparation of [Re2Cp2(CO)6]2+: a Dimeric Dication that Provides the Powerful One-Electron Oxidant [ReCp(CO)3]+. D. Chong, A. Nafady, P. J. Costa, M. J. Calhorda, W. E. Geiger. Journal of the American Chemical Society, 2005, 127, 15676-15677.

  6. Syntheses, X-ray Structures, Photochemistry, Redox Properties and DFT Calculations of Inter-Convertible fac- and mer-[Mn(SPS)(CO)3] Isomers Containing Flexible SPS-Based Pincer Ligand. M. Doux, N. Mézailles, L. Ricard, P. Le Floch, P. D. Vaz, M. J. Calhorda, T. Mahabiersing, F. Hartl. Inorganic Chemistry, 2005, 44, 9213-9244.

  7. PGSE NMR Diffusion, Overhauser and DFT Studies on the salts [Pd(n3-CH3CCCHCHPh)(dppe)](anion). D. Schott, P. S. Pregosin, L. F. Veiros, M. J. Calhorda. Organometallics, 2005, 24, 5710-5717.

  8. A New Interpretation of Bonding Properties and UV-Vis Spectra of [M3(CO)12] Clusters: A TD-DFT Study. M. J. Calhorda, P. J. Costa, F. Hartl, F. W. Vergeer. Comptes Rendus Chimie, 2005, 8, 1477-1486.

  9. Heterosite Effects in Novel Heteronuclear Clusters [Os2Ru(CO)11(PPh3)] and [Os2Ru(CO)10(2-acetylpyridine-N-isopropylimine)]. F. W. Vergeer, M. Lutz, A. L. Spek, M. J. Calhorda, D. J. Stufkens, F. Hartl. European Journal of Inorganic Chemistry, 2005, 2206-2222.

  10. Unprecedented n3-M3 Coordination Mode in a Terpyridine Ligand. J. E. Aguado, M. J. Calhorda, M. C. Gimeno, A. Laguna. Chemical Communications, 2005, 3355-3356.

  11. Bioactive Pseudo-C-Nucleosides Containing Thiazole, Thiazolidinone and Tetrazole Rings. A. P. Rauter, M. Padilha, J. A. Figueiredo, M. I. Ismael, J. Justino, H. Ferreira, M. J. Ferreira, C. Rajendran, R. Wilkins, P. D. Vaz, M. J. Calhorda. Journal of Carbohydrate Chemistry, 2005, 24, 275-296.

  12. Electronic Structure and Hydrogen Bonding in a Dicobalt(III) Werner Complex. N. A. G. Bandeira, M. J. Calhorda. Structural Chemistry, 2005, 16, 265-271.

  13. Ruthenium Catalysed Allylic Alkylation Chemistry. Carbonate-Based New Catalysts and Intermediates. I. Fernández, R. Hermatschweiler, F. Breher, P. S. Pregosin, L. F. Veiros, M. J. Calhorda. Angewandte Chemie, International Edition, 2005, 44, 4397-4400.

  14. X-ray, 13C NMR and DFT Studies on a Ru(IV) Allyl Complex. An Explanation for the Observed Control of Regioselectivity in Allylic Alkylation Chemistry. R. Hermatschweiler, I. Fernández, P. S. Pregosin, E. J. Watson, A. Albinati, S. Rizzato, L. F. Veiros, M. J. Calhorda. Organometallics, 2005, 24,1809-1812.

  15. Kinetics of Olefin Epoxidation with tert-Butyl Hydroperoxide in the Presence of MoO2X2L-type Catalyst (L = Bidentate Lewis Base). A. Al-Ajlouni, A. A. Valente, C. D. Nunes, M. Pillinger, A. M. Santos, J. Zhao, C. C. Romão, I. S. Gonçalves, F. E. Kühn. European Journal of Inorganic Chemistry, 2005, 9, 1716-1723.

  16. Synthesis, Characterization and Catalytic Studies of Bis(chloro)dioxomolybdenum(vi)-Chiral Diimine Complexes. S. Gago, J. E. Rodríguez-Borges, C. Teixeira, A. M. Santos, J. Zhao, M. Pillinger, C. D. Nunes, Z. Petrovski, T. M. Santos, F. E. Kühn, C. C. Romão, I. S. Gonçalves. Journal of Molecular Catalysis A - Chemical, 2005, 236, 1-6.

  17. Pyridine-Carboxylate Complexes of Platinum. Effect of N,O-Chelate Formation on Model Bifunctional DNA-DNA and DNA-Protein Interactions. S. M. O. Quintal, Y. Qu, A. G. Quiroga, J. Moniodis, H. I. S. Nogueira, N. Farrell. Inorganic Chemistry, 2005; 44, 5247-5253.

  1. Cu(I) and Ag(I) Complexes of Chalcogenide Derivatives of the Organometallic Ligand dppf and the dppa Analogue. H. Liu, N. A. G. Bandeira, M. J. Calhorda, M. G. B. Drew, V. Félix, J. Novosad, L. F. Veiros, F. Fabrizi de Biani, P. Zanello. Journal of Organometallic Chemistry, 2004, 689, 2808-2819.

  2. Activation of Molecular Hydrogen over a Binuclear Complex with Rh2S2 Core: DFT Calculations and NMR Mechanistic Studies. A. Ienco, M. J. Calhorda, J. Reinhold, F. Reineri, C. Bianchini, M. Peruzzini, F. Vizza, C. Mealli. Journal of the American Chemical 2004, 126, 2808-2819.

  3. Metal Cyclobutadiene Complexes: By what Mechanisms are They Formed? L. F. Veiros, G. Dazinger, K. Kirchner, M. J. Calhorda, R. Schmid. Chemistry An European Journal, 2004, 10, 5860-5870.

  4. Complexation Properties of a Tetraazamacrocycle with Phenol Pendant Arms: X-ray Structures, Spectroscopic and DFT Studies. X. Cui, M. J. Calhorda, P. J. Costa, R. Delgado, M. G. B. Drew, V. Félix. Helvetica Chimica Acta, 2004, 87, 2613-2628.

  5. N-Salicylideneamino Acidato Complexes of Oxovanadium(IV). The Cysteine and Penicillamine Complexes. J. Costa Pessoa, M. J. Calhorda, I. Cavaco, P. J. Costa, I. Correia, D. Costa, L. F. Vilas-Boas, V. Félix, R. D. Gillard, R. T. Henriques, R. Wiggins. Dalton Transactions, 2004, 2855-2866.

  6. Low-Lying Excited States and Primary Photoproducts of Clusters [Os3(CO)10(s-cis-L)] (L=cyclohexa-1,3-diene, buta-1,3-diene)] Studied by Picosecond Time-Resolved UV/Vis and IR Spectroscopies, and Density Functional Theory. F. W. Vergeer, P. Matousek, M. Towrie, P. J. Costa, M. J. Calhorda, F.Hartl. Chemistry An European Journal, 2004, 10, 3451-3460.

  7. Synthesis and Theoretical Studies of a Double Helical Complex with the Ligand 4’,4’’’-Bis(ferrocenyl)-2,2’:6’,2’’:6’’,2’’’:6’’’,2’’’’-quinquepyridine. J. E. Aguado, M. J. Calhorda, P. J. Costa, O. Crespo, V. Félix, M. C. Gimeno, P. G. Jones, A. Laguna. European Journal of Inorganic Chemistry, 2004, 3038-3047.

  8. Novel Bis(iminophosphorano)methane Derivatives as Precursors of Unusual Ruthenium-Carbene Complexes: A Synthetic and Theoretical Study. V. Cadierno, M. J. Calhorda, J. Díez, J. García-Álvarez, J. Gimeno, L. F. Veiros. Organometallics, 2004, 23, 2421-2433.

  9. Dichloro and Dimethyl Dioxomolybdenum(VI) Complexes as Epoxidation Catalysts: Synthesis and Kinetics Studies. A. A. Valente, J. Moreira, A. D. Lopes, M. Pillinger, C. D. Nunes, C. C. Romão, I. S. Gonçalves. New Jounal Chemistry, 2004, 28, 308-313.

  10. Epoxidation of Cyclooctene Catalyzed by Dioxomolybdenum(VI) Complexes in Ionic Liquids. A. A. Valente, Z. Petrovski, L. C. Branco, C. A. M. Afonso, M. Pillinger, A. D. Lopes, C. C. C. C. Romão, C. D. Nunes, I. S. Gonçalves. Journal of Molecular Catalysis A, 2004, 218, 5-11.

  1. Elemental Composition by EDXRF of Marine Sponges from the Berlengas Natural Park - Western Portuguese Coast. M. F. Araújo, A. Conceição, T. Barbosa, M. T. Lopes, M. M. Humanes. X-Ray Spectrometry, 2003, 32, 428-433.

  2. Molecular Structure-Activity Relationships for the Oxidation of Organic Compounds using Mesoporous Silica Catalysts Derivatised with Bis(halogeno)dioxomolybdenum(VI) Complexes. C. D. Nunes, A. A. Valente, M. Pillinger, J. Rocha, I. S. Gonçalves. Chemistry European Journal, 2003, 9, 4380-4390.

  3. Bimetallic Transition Metal-Ruthenium(ii) Complexes Containing Bridging Bipyrimidine Ligands C. D. Nunes, M. Pillinger, A. Hazell, J. Jepsen, T. M. Santos, J. Madureira, A. Lopes, I. S. Gonçalves. Polyhedron 2003, 22, 2799-2807.

  4. Dioxomolybdenum(VI) Modified Mesoporous MCM-41 and MCM-48 Materials for the Catalytic Epoxidation of Olefins. C. D. Nunes, M. Pillinger, A. A. Valente, J. Rocha, A. D. Lopes, I. S. Gonçalves. European Journal of Inorganic Chemistry, 2003, 3870-3877.

  5. Preparation and Catalytic Properties of a New Dioxomolybdenum(vi) Complex Covalently Anchored to Mesoporous MCM-48. C. D. Nunes, M. Pillinger, A. A. Valente, A. D. Lopes, I. S. Gonçalves. Inorganic Chemistry Communications, 2003, 6, 1228-1233.

  6. Mono and Binuclear Bipyridyl Derivatives of the Mo(n3-C3H5)(CO)2 Fragment: Structural Studies and Fluxionality in Solution. P. M. F. J. Costa, M. Mora, M. J. Calhorda, V. Félix, P. Ferreira, M. G. B. Drew, H. Wadepohl. Journal of Organometallic Chemistry, 2003, 687, 57-68.

  7. A Mechanism for the Cyclotrimerization of Alkynes and Related Reactions Catalyzed by CpRuCl. K. Kirchner, M. J. Calhorda, R. Schmid, L. F. Veiros. Journal of the American Chemical Society 2003, 125, 11721-1729.

  8. Structural Characterisation and DFT studies of [Cr(cyclam)(O-dmso)Cl]2+: A New Precursor Complex towards Potential DNA Intercalators. V. Félix, T. M. Santos, J. Madureira, F. Mirante, S. Quintal, B. J. Goodfellow, M. G. Santana-Marques, J. Pedrosa de Jesus, M. G. B. Drew, M. J. Calhorda. Inorganica Chimica Acta 2003, 356, 335-342.

  9. Te-Te Interactions in Inorganic Rings with Sulfur Donors. N. Bandeira, L. F. Veiros, M. J. Calhorda, J. Novosad. Inorganica Chimica Acta 2003, 356, 319-327.

  10. Ruthenium-Mediated Cyclotrimerization of Alkynes Utilizing the Cationic Complex [RuCp(CH3CN)3]PF6. E. Rüba, R. Schmid, K. Kirchner, M. J. Calhorda. Journal of Organometallic Chemistry 2003, 682, 204-211.

  11. Cyanide-Isocyanide Isomers in Polynuclear Complexes. Reactivity and Theoretical Studies. M. J. Calhorda, P. J. Costa, M. G. B. Drew, V. Félix, C. A. Gamelas, I. S. Gonçalves, C. C. L. Pereira, C. C. Romão. Inorganica Chimica Acta 2003, 356, 297-307.

  12. Marked Influence of the Bridging Carbonyl Ligands on the Photo- and Electrochemistry of the Clusters [Ru3(CO)8(μ-CO)2(α-diimine)] (α-diimine = 2,2'-bipyridine, 4,4'-dimethyl-2,2'-bipyridine and 2,2'-bipyrimidine). F. W. Vergeer, M. J. Calhorda, P. Matousek, M. Towrie, F. Hartl. Journal of the Chemical Society, Dalton Transactions 2003, 4084-4099.

  13. Ordered Benzene-Silica Hybrids with Molecular-Scale Periodicity in the Walls and Different Mesopore Sizes. N. Bion, P. Ferreira, A. A. Valente, I. S. Gonçalves, J. Rocha. Journal of Materials Chemistry 2003, 13, 1910-1913.

  14. Structural Preferences of 20-electron Bisindenyl Complexes of Group 6 Metals: a DFT Study. M. J. Calhorda, L. F. Veiros. Inorganica Chimica Acta 2003, 350, 547-566.

  15. Ag(I) and Cu(I) Complexes of Tetramethylphosphinedisulfide: Synthesis and Structure. H. Liu, M. J. Calhorda, M. G. B. Drew, V. Félix. Inorganica Chimica Acta 2003, 347, 175-180.

  1. MCM-41 Functionalized with Bipyrdyil Groups and its Use as a Support for Oxomolybdenum (VI) CatalystC. D. Nunes, A. A. Valente, M. Pillinger, A. C. Fernandes, C. C. Romão, J. Rocha, I. S. Gonçalves. Jounal of Materials Chemistry 2002, 12, 1735-1742.

  2. Synthesis and Characterization of Rhodium Acetonitrile Complexes Immobilized in Ordered Mesoporous SilicaM. Pillinger, C. D. Nunes, P. D. Vaz, A. A. Valente, P. J. A. Ribeiro-Claro, J. Rocha, F. Kühn, I. S. Gonçalves. Physical Chemistry Chemical Physics 2002, 4, 3098-3105.

  3. Synthesis and Characterization of Ruthenium (II) Complexes Containing Ferrocenyl-derived Ligands. C. D. Nunes, T. M. Santos, H. Carapuça, A. Hazell, M. Pillinger, J. Madureira, W-M. Xue, F. Kühn, I. S. Gonçalves. New Journal Chemistry 2002, 26, 1384-1388.

  4. Synthesis and Characterization of Methyltrioxorhenium(VII) Immobilized in Bipyridyl-Functionalized Mesoporous Silica. C. D. Nunes, M. Pillinger, A. A. Valente, I. S. Gonçalves, J. Rocha, P. Ferreira, F. E. Kühn. European Journal of Inorganic Chemistry 2002, 5, 1100-1107.

  5. Mesoporous Silica Grafted Multiply Bonded Dimolybdenum Cations: XAFS Analysis and Catalytic Activity in Cyclopentadiene Polymerisation. M. Pillinger, I. S. Gonçalves, A. D. Lopes, P. Ferreira, J. Rocha, G. Zhang, M. Schäfer, O. Nuyken, F. E. Kühn. Physical Chemistry Chemical Physics 2002, 4, 696-702.

  6. Synthesis, X-Ray Structures, Electrochemistry, Magnetic Properties, and Theoretical Studies of the Novel Monomeric [CoI2(dppfO2)] and Polymeric Chain [{CoI2(μ-dppfO2}n ]. T. Avilés, A. Dinis, J. O. Gonçalves, V. Félix, M. J. Calhorda, Â. Prazeres, M. G. B. Drew, H. Alves, R. T. Henriques, V. da Gama, P. Zanello, M. Fontani. Journal of the Chemical Society, Dalton Transactions 2002, 4595-4602.

  7. Molecular Modelling Studies of N-Salicylideneamino Acidato Complexes of Oxovanadium(IV). Molecular and Crystal Structure of a New Dinuclear Mixed LVIV-O-VVL Valence Complex. J. Costa Pessoa, M. J. Calhorda, I. Cavaco, I. Correia, M. T. Duarte, V. Félix, R. T. Henriques, M. F. M. Piedade. Journal of the Chemical Society, Dalton Transactions 2002, 4407-4415.

  8. New Cu(I) and Ag(I) Binuclear Complexes Containing the dppa Ligand. H. Liu, M. J. Calhorda, M. G. B. Drew, V. Félix, J. Novosad, L. F. Veiros, F. Fabrizi de Biani, P. Zanello. Journal of the Chemical Society, Dalton Transactions 2002, 4365-4374.

  9. Exocyclic Coordination of the η3-Fluorenyl, η3-Cyclopenta[def]phenanthrenyl and η3-8,9-Dihydro-Cyclopenta[def]phenanthrenyl Anions: X-ray Crystal Structures, NMR Fluxionality and Theoretical Studies. M. J. Calhorda, I. S. Gonçalves, B. J. Goodfellow, E. Herdtweck, C. C. Romão, B. Royo, L. F. Veiros. New Journal of Chemistry 2002, 26, 1552-1558.

  10. Electrochemical Behaviour, IR Spectroelectrochemistry and Theoretical studies of Tetracobalt Carbonyl Cluster Complexes with a Facial Cyclooctatetraene Ligand. J. Fiedler, C. Nervi, D. Osella, M. J. Calhorda, S. S. M. C. Godinho, R. Merkel, H. Wadepohl. Journal of the Chemical Society, Dalton Transactions 2002, 3705-3711.

  11. Mono-Halobenzenes Anion Fragmentation Induced by Atom-Molecule Electron Transfer Collisions. R. F. M. Lobo, P. L. Vieira, S. S. M. C. Godinho, M. J. Calhorda. Journal of Chemical Physics 2002, 116, 9712-9720.

  12. The H...H interaction in the solid state structure of HMn(CO)5. M. J. Calhorda, P. J. Costa. Crystal Engineering Communications 2002, 4, 368-372.

  13. Bonding and Structural Preferences of Indenyl Complexes: MInd2Ln (n=0-3). M. J. Calhorda, V. Félix, L. F. Veiros. Coordination Chemistry Reviews 2002, 230, 48-63.

  14. Selective C-C Bond Formation between Alkynes Mediated by the [RuCp(PR3)]+ Fragment Leading to Allyl, Butadienyl, and Allenyl Carbene Complexes - An Experimental and Theoretical Study. E. Rüba, K. Mereiter, R. Schmid, V. N. Sapunov, K. Kirchner, H. Schottenberger, M. J. Calhorda, L. F. Veiros. Chemistry - A European Journal 2002, 8, 3948-3961.

  15. The Octahedral Bipyridine and Bipyrimidine Dioxomolybdenum(VI) Complexes: Characterization, Application in Catalytic Epoxidation, and Density Functional Mechanistic Study. F. E. Kühn, M. Groarke, É. Bencze, E. Herdtweck, A. Prazeres, A. M. Santos, M. J. Calhorda, C. C. Romão, I. S. Gonçalves, A. D. Lopes, M. Pillinger. Chemistry - A European Journal 2002, 8, 2370-2383.

  16. Bonding and Redox Properties of Unprecedented Clusters [Os3(CO)9(tmbp)(L)] (tmbp = 4,4',5,5'-tetramethyl-2,2'-biphosphinine; L = CO, PPh3) with Electron Deficient Metallic Core and Doubly Bridging Biphosphinine Dianion. M. J. Bakker, F. W. Vergeer, F. Hartl, P. Rosa, L. Ricard, P. Le Floch, M. J. Calhorda. Chemistry - A European Journal 2002, 8, 1741-1752.

  17. The Nature of the Indenyl Effect. M. J. Calhorda, C. C. Romão, L. F. Veiros. Chemistry, A European Journal 2002, 8, 868-875.

  18. The Origin of Enantioselectivity in Palladium Catalyzed Asymmetric Allylic Alkylation Reactions Using Aminophosphine Ligands. M. Widhalm, U. Nettekoven, H. Kalchhauser, K. Mereiter, M. J. Calhorda, V. Félix. Organometallics 2002, 21, 315-325.

  19. Heptacoordinate Dithiophosphate W(II) and Mo(II) Complexes of Diphosphines and Iodide. H. Liu, M. J. Calhorda, V. Félix, M. G. B. Drew, L. F. Veiros. Inorganica Chimica Acta 2002, 327, 169-178.

  1. Vanadium Haloperoxidases from Brown Algae of the Laminareaceae Family. M. Almeida, S. Filipe, M. Humanes, M. F. Maia, R. Melo, N. Severino, J. A. L. da Silva, J. J. R. Fraústo da Silva, R. Wever. Phytochemistry 2001, 57, 633-642.

  2. Chiral Dioxomolybdenum(VI) Complexes for Enantioselective Alkene Epoxidation. I. S. Gonçalves, F. E. Kühn, A. M. Santos, A. Lopes, J. E. Rodríguez-Borges, M. Pillinger, P. Ferreira, C. C. Romão, J. Rocha. Journal of Organometallic Chemistry 2001, 626, 1-10.

  3. Synthesis and Structural Characterization of Zirconium Silicates. P. Ferreira, A. Ferreira, M. R. Sousa, J. Rocha. Chemistry of Materials 2001, 13, 355-363.

  4. Synthesis and Characterisation of a RuII([14]aneS4) Complex Immobilised in MCM-41-type Mesoporous Silica. M. Pillinger, I. S. Gonçalves, A. D. Lopes, J. Madureira, P. Ferreira, A. A. Valente, T. M. Santos, J. Rocha, J. F. S. Menezes, L. D. Carlos. Journal of the Chemical Society, Dalton Transactions 2001, 1628-1633.

  5. The Interactions of Cationic and Neutral Molybdenum Complexes with β-Cyclodextrin Host Molecules. S. Lima, I. S. Gonçalves, P. Ribeiro-Claro, M. Pillinger, A. D. Lopes, P. Ferreira, J. J. C. Teixeira-Dias, J. Rocha, C. C. Romão. Organometallics 2001, 20, 2191-2197.

  6. Novel Microporous Europium and Terbium Silicates. D. Ananias, A. Ferreira, J. Rocha, P. Ferreira, J. P. Rainho, C. Morais, L. D. Carlos. Journal of the American Chemical Society 2001, 123, 5735-5742.

  7. Immobilisation of Monometallic Acetonitrile Complexes on Mesoporous Silica and Their Activity as Initiators for Cyclopentadiene Polymerisation. M. Pillinger, I. S. Gonçalves, A. A. Valente, P. Ferreira, D. Schön, O. Nuyken, F. E. Kühn. Designed Monomers and Polymers 2001, 4, 269-278.

  8. Bidentate Lewis Base Adducts of Methyltrioxorhenium(VII) and Their Application in Catalytic Epoxidation. P. Ferreira, W.-M. Xue, É. Bencze, E. Herdtweck, F. E. Kühn. Inorganic Chemistry 2001, 40, 5834-5841.

  9. Multiply Bonded Dimolybdenum Cation Immobilised in Mesoporous Silica: XAFS Analysis and Catalytic Activity in Cyclopentadiene Polymerization. M. Pillinger, I. S. Gonçalves, P. Ferreira, J. Rocha, M. Schäfer, O. Nuyken, F. E. Kühn. Rapid Macromolecular Communication 2001, 22, 1302-1305.

  10. Solvent Stabilized Transition Metal(II) Complexes as Initiators for Polymerization Reactions. P. Ferreira, F. E. Kühn. Trends in Inorganic Chemistry 2001, 7, 89-98.

  11. Stepwise Hapticity Changes in Sequential One-Electron Redox Reactions of Indenyl-Molybdenum Complexes: Combined Electrochemical, ESR, X-Ray and Theoretical Studies. M. E. Stoll, P. Belanzoni, M. J. Calhorda, M. G. B. Drew, V. Félix, W. E. Geiger, C. A. Gamelas, I. S. Gonçalves, C. C. Romão, L. F. Veiros. Journal of the American Chemical Society 2001, 123, 10595-10606.

  12. Bis(indenyl) Complexes of Fe, Co, and Ni: Electronic Structure and Preferences. M. J. Calhorda, L. F. Veiros. Journal of Organometallic Chemistry 2001, 635, 197-203.

  13. Synthesis and Characterization of Triosmium Clusters Containing the Bidentate Ligand Ph2PCH2CH2SMe: Detection of an Isomerization Reaction Involving Bridging and Chelating Ligand Coordination Modes. R. Persson, M. Monari, R. Gobetto, A. Russo, S. Aime, M. J. Calhorda, E. Nordlander. Organometallics 2001, 40, 4150-4160.

  14. Heptacoordinate Dithiophosphate Mo(II) and W(II) Complexes: Molecular Structures of Mono and Binuclear Phosphine Complexes. H. Liu, M. J. Calhorda, V. Félix, M. G. B. Drew. Journal of Organometallic Chemistry 2001, 632, 175-187.

  15. Synthesis, Bonding and Dynamic Behavior of fac-[Mo(II)(CO)23-allyl)] Derivatives. J. R. Ascenso, C. G. de Azevedo, M. J. Calhorda, M. A. A. F. de C. T. Carrondo, P. Costa, A. R. Dias, M. G. B. Drew, A. M. Galvão, C. C. Romão, V. Félix. Journal of Organometallic Chemistry 2001, 632, 197-208.

  16. Metal-Metal Interaction in Polynuclear Complexes with Cyanide Bridges. Synthesis, Characterization, and Theoretical Studies. M. J. Calhorda, M. G. B. Drew,?V. Félix, L. P. Fonseca, C. A. Gamelas, S. S. M. C. Godinho, I. S. Gonçalves, E. Hunstock, J. P. Lopes, A. J. Parola, F. Pina, C. C. Romão, A. G. Santos. Journal of Organometallic Chemistry 2001, 632, 94-106.

  17. Haptotropic Shifts of Indenyl and Other Related π Ligands. M. J. Calhorda, L. F. Veiros. Comments in Inorganic Chemistry 2001, 22, 375-391.

  18. A Theoretical Analysis of Bonding and Stereochemical Trends in Doubly Bridged Cu(I)-Cu(I) Dimers. C. Mealli, S. S. M. C. Godinho, M. J. Calhorda. Organometallics 2001, 20, 1734-1742.

  19. Synthesis, X-Ray Structure, and Theoretical Studies of Novel Cationic Mono-Cyclopentadienyl Complexes of Co(III): The Orthometalation of trans-Azobenzene. T. Avilés, A. Dinis, M. J. Calhorda, P. Pinto, V. Félix, M. G. B. Drew. Journal of Organometallic Chemistry 2001, 625, 186-194.

  20. Mono- and Heterometallic Carbonyl Precursor Based RuMo/Al2O3 Catalysts: Hydrodesulfurization Activity and Temperature Programmed Studies. P. Pinto, M. J. Calhorda, T. Straub, V. Miikkulainen, J. Räty, M. Suvanto, T. A. Pakkanen. Journal of Molecular Catalysis A: Chemical 2001, 3094, 1-10.

  21. Theoretical Studies of [Os3(CO)3(α-Diimine)]: Structures, Frontier Orbitals and Bonding. M. J. Calhorda, E. Hunstock, L. F. Veiros, F. Hartl. European Journal of Inorganic Chemistry 2001, 223-231.

  1. Purification and Characterization of Vanadium Haloperoxidases from the Brown Alga Pelvetia canaliculata. G. Almeida, M. Humanes, J. A. Silva, R. Melo, J. J. R. Fraústo da Silva, R. Wever. Phytochemistry 2000, 54, 5-11.

  2. Structural Studies of MCM-48 Derivatised with (1,1'-Ferrocenediyl)dimethylsilane. P. Ferreira, I. S. Gonçalves, F. Mosselmans, M. Pillinger, J. Rocha, A. Thursfield. European Journal Inorganic Chemistry 2000, 97-102.

  3. Structural Studies and Catalytic Activity of MCM-41 and MCM-48 Modified with the Titanocenophane [SiMe2{(η5-C5H4)2}]TiCl2. P. Ferreira, I. S. Gonçalves, F. E. Kühn, M. Pillinger, J. Rocha, A. M. Santos, A. Thursfield. European Journal of Inorganic Chemistry 2000, 551-557.

  4. Modification of β-Cyclodextrin with Ferrocenyl Groups by Ring Opening of an Encapsulated Ferrocenophane. P. Ferreira, I. S. Gonçalves, M. Pillinger, J. Rocha, P. Santos, J. J. C. Teixeira-Dias. Organometallics 2000, 19, 1455-1457.

  5. Synthesis and Characterisation of MCM-41-supported Dimolybdenum Complexes. P. Ferreira, I. S. Gonçalves, F. E. Kühn, M. Pillinger, J. Rocha, A. Thursfield, W.-M. Xue, G. Zhang. Journal of Materials Chemistry 2000, 10, 1395-1401.

  6. Photoluminescence of New Er3+-doped Titanosilicate Materials. J. Rocha, L. D. Carlos, J. P. Rainho, Z. Lin, P. Ferreira, R. M. Almeida. Journal of Materials Chemistry 2000, 10, 1371-1375.

  7. Mesoporous Silicas Modified with Dioxomolybdenum(VI) Complexes: Synthesis and Catalysis. P. Ferreira, I. S. Gonçalves, F. E. Kühn, A. Lopes, M. Pillinger, A. Pina, M. Martins, J. Rocha, C. C. Romão, A. M. Santos, T. M. Santos, A. A. Valente. European Journal of Inorganic Chemistry 2000, 2263-2270.

  8. The First example of a Microporous Framework Cerium-Silicate. J. Rocha, P. Ferreira, L. D. Carlos, A. Ferreira. Angewandte Chemie, International Edition 2000, 39, 3276-3279.

  9. Titanium Indenyldimethylamido Complexes: Synthesis, Characterization and Theoretical Calculations. Crystal Structure of [Ti(η5-Ind)(NMe2)Cl2]. A. M. Martins, J. R. Ascenso, C. G. de Azevedo, M. J. Calhorda, A. R. Dias, S. S. Rodrigues, L. Toupet, P. de Leonardis, L. F. Veiros. Journal of the Chemical Society, Dalton Transactions 2000, 4332-4338.

  10. Syntheses and Crystal Structures of Cu(I) Polynuclear Complexes Containing the 1,1'-Bis(diphenylphosphino)ferrocene Ligand. P. Pinto, M. J. Calhorda, V. Félix, T. Avilés, M. G. B. Drew. Monatshefte für Chemie 2000, 131, 1253-1265.

  11. Fe-Ru-Os Mixed Trimetallic Carbonyl Clusters: Theoretical Studies and Structural Trends. E. Hunstock, M. J. Calhorda, P. Hirva, T. A. Pakkanen. Organometallics 2000, 19, 4624-4628.

  12. Synthesis and Theoretical Studies of Tetranuclear Gold Clusters. Formation of [Au{(PPh2)2CB9H10}2(AsPh3)4]. M. J. Calhorda, O. Crespo, M. C. Gimeno, P. G. Jones, A. Laguna, J. L. Perez, M. A. Ramón, L. Veiros. Inorganic Chemistry 2000, 39, 4280-4285.

  13. An "Atoms In Molecules" (AIM) Analysis of the Dihydrogen Bond in Organometallic Compounds.M. J. Calhorda, P. E. M. Lopes. Journal of Organometallic Chemistry 2000, 609, 53-59.

  14. Weak Hydrogen Bonds: Theoretical Studies. M. J. Calhorda. Chemical Communications 2000, 801-809.

  15. Insertion of Isonitrile into the Mo-C bond of [MoCp(CH3)(CNH)]+: A Density Functional Study. M. J. Calhorda, P. E. M. Lopes, E. J. Baerends. New Journal of Chemistry 2000, 24, 289-293.

  16. From Molecules to Aggregates: Crystal Structures of Molybdenum Binuclear Complexes. P. Pinto, E. Barranco, M. J. Calhorda, V. Félix, M. G. B. Drew. Journal of Organometallic Chemistry 2000, 601, 34-42.

  17. Molecular and Crystal Structures of Cubane-like Ru-O complexes and the Molecular Orbital Analysis of an Unusual π-π Interaction Stabilized by C-H---O Hydrogen Bonds. L. Scaccianoce, D. Braga, M. J. Calhorda, F. Grepioni, B. F. G. Johnson. Organometallics 2000, 19, 790-797.

  18. Zirconocene Catalysts: Ion-Pairs, Zwitterions, or Weakly Bound Molecules? D. Braga, F. Grepioni, E. Tedesco, M. J. Calhorda. Zeitschrift für anorganische und allgemeine Chemie 2000, 626, 462-460.

  19. Compared Reductive Chemistry of Molybdenocene and Indenyl-Substituted Complexes. M. J. Calhorda, C. A. Gamelas, C. C. Romão, L. F. Veiros. European Journal of Inorganic Chemistry 2000, 331-340.

  1. Elemental Composition of Demospongiae from the Eastern Atlantic-Coastal Waters. M. F. Araújo, A. Cruz, M. Humanes, M. T. Lopes, J. A. L. Silva, J. J. R. Fraústo da Silva. Chemical Speciation and Bioavailability 1999, 11, 25-36.

  2. Synthesis and Structural Characterization of Microporous Framework Zirconium Silicates. Z. Lin, J. Rocha, P. Ferreira, A. Thursfield, J. R. Agger, M. W. Anderson. Journal of Physical Chemistry B 1999, 103, 957-963.

  3. Some Source of Variability in Application of the Three-Stage Sequential Extraction Procedure Recommended by BCR to Industrially-contaminated Soil. C. M. Davidson, P. C. S. Ferreira, A. Ure. Fresenius Journal Analytical Chemistry 1999, 363, 446-451.

  4. The Molecular Structures of M3(CO)12 (M=Fe, Ru, Os): New Theoretical Insights. E. Hunstock, C. Mealli, M. J. Calhorda, J. Reinhold. Inorganic Chemistry 1999, 38, 5053-5060.

  5. Exocyclic Coordination of the η3-Fluorenyl Anion: Experimental and Theoretical Study. M. J. Calhorda, I. S. Gonçalves, E. Herdtweck, C. C. Romão, B. Royo, L. F. Veiros. Organometallics 1999, 18, 3956-3958.

  6. Interplay of Ketenyl and Nitrile Ligands on d6-Transition Metal Centres. Acetonitrile as an End-on (two electron) or a Side-on (Four-Electron) Ligand. H. Wadepohl, U. Arnold, H. Pritzkow, M. J. Calhorda, L.F. Veiros. Journal of Organometallic Chemistry 1999, 587, 233-243.

  7. Ring Slippage in Indenyl Complexes: Structure and Bonding. M. J. Calhorda, L. F. Veiros. Coordination Chemistry Reviews 1999, 185-186, 37-51.

  8. The Effect of the Counter Ion on M-H---H-X (X = O, N) Interactions in Crystalline Transition Metal Hydrides. D. Braga, F. Grepioni, E. Tedesco, M. J. Calhorda, P. E. M. Lopes. New Journal of Chemistry 1999, 23, 219-226.

  9. Remarkably Stable Radical Anions Derived from Clusters [HOs3(CO)9(L)], L = ortho-Metallated α-Diimine: A Spectroelectrochemical Study and Theoretical Rationalization. J. Nijhoff, F. Hartl, J. W. M. van Outersterp, D. J. Stufkens, M. J. Calhorda, L. F. Veiros. Journal of Organometallic Chemistry 1999, 573, 121-133.

  10. Saccorhiza polyschides (Phaeophyceae, Phyllariaceae): A new Source for Vanadium-Dependent Haloperoxidases. M. Almeida, M. Humanes, J. A. Silva, R. Melo, J. J. R. Fraústo da Silva, H. Vilter, R. Wever. Phytochemistry 1998, 48, 229-239.

  11. New Methyl Dehydroabietate Derivatives: Synthesis and Structural Characterization. J. D. Silvestre, S. M. C. Monteiro, A. M. S. Silva, J. A. S. Cavaleiro, V. M. S. Félix, P. Ferreira, M. G. B. Drew. Monatshefte für Chemie 1998, 129, 1183-1197.

  12. Synthesis and Structural Characterization of Microporous Yttrium and Calcium Silicates. J. Rocha, P. Ferreira, Z. Lin, P. Brandão, A. Ferreira, J. D. Pedrosa de Jesus. Journal of Physical Chemistry B 1998, 102, 4739-4744.

  13. Synthesis and Characterisation of a Microporous Zirconium Silicate with the Structure of Petarasit. J. Rocha, P. Ferreira, Z. Lin, J. R. Agger, M. W. Anderson. Chemical Communications 1998, 1269-1270.

  14. Gold(I) and Gold(III) Complexes with the 1,1'-Bis(diethyldithiocarbamate) Ferrocene Ligand. M. C.Gimeno, P. G. Jones, A. Laguna, C. Sarroca, M. J. Calhorda, L. F. Veiros. Chemistry - An European Journal 1998, 4, 2308-2314.

  15. Fragmentation Pathways in the Dissociation of Fluoro-Iodo-Benzene Negative Ions. R. F. M. Lobo, A. M. C. Moutinho, M. J. Calhorda. Chemical Physics 1998, 234, 265-275.

  16. Structural and Theoretical Analysis of M-H---H-M and M-H---H-C Intermolecular Interactions. D. Braga, P. DeLeonardis, F. Grepioni, E. Tedesco, M. J. Calhorda. Inorganic Chemistry 1998, 37, 3337-3348.

  17. Ligand Dependence of the Indenyl Ring Slippage in [(η5-Ind)MoL2(CO)2]0,+ Complexes: Experimental and Theoretical Studies. M. J. Calhorda, C. A. Gamelas, I. S. Gonçalves, E. Herdtweck, C. C. Romão, L. F. Veiros. Organometallics 1998, 17, 2597-2611.

  18. Organometallic Nickel(II) Complexes with Substituted Benzonitrile Ligands. Synthesis, Electrochemical Studies and Non-Linear Optical Properties. The X-Ray Crystal Structure of [Ni(η5-C5H5){P(CH3)3}(NCC6H4NH2)][PF6]. A. R. Dias, M. H. Garcia, P. Mendes, M. F. M. Piedade, M. T. Duarte, M. J. Calhorda, C. Mealli, W. Wenseleers, A. W. Gerbrandij, E. Goovaerts. Journal of Organometallic Chemistry 1998, 553, 115-128.

  19. Structural Preferences of η4-Cyclopentadienyl Complexes: Molecular Mechanics, Molecular Orbital and Crystallographic Studies. V. Félix, M. J. Calhorda, M. G. B. Drew, I. S. Gonçalves, C. C. Romão. Inorganica Chimica Acta 1998, 275-276, 263-273

  20. The First Synthetic Microporous Yttrium Silicate Containing Framework Sodium Ions. J. Rocha, P. Ferreira, Z. Lin, P. Brandão, A. Ferreira, J. D. Pedrosa de Jesus. Chemical Communications 1997, 2103-2104.

  21. Nucleophilic and Electrophilic Reactions of C5 Cyclo-Polyenes Coordinated to the [CpMoL2]n+ Fragment (n = 1,2; L = 1/2dppe, PMe3, P(OMe)3, CO). C. G. de Azevedo, M. J. Calhorda, M. A. A. F. de C. T. Carrondo, A. R. Dias, M. T. Duarte, A. M. Galvão, C. A. Gamelas, I. S. Gonçalves, M. F. M. Piedade, C. C. Romão. Journal of Organometallic Chemistry 1997, 544, 257-276.

  22. Ferrocenylsilatranes. A Synthetic, Structural and Theoretical Investigation. M. J. Calhorda, P. E. M. Lopes, A. Schier, R. Herrmann. Journal of Organometallic Chemistry, 1997, 543, 93-102.

  23. Gold(I)-Gold(III) Interactions in Polynuclear Sulfur-centered Complexes. Synthesis and Structural Characterization of [S(Au2dppf){Au(C6F5)3}] and [{S(Au2dppf)}2{Au(C6F5)2}]OTf (dppf =1,1'-bis(diphenylphosphino)ferrocene). M. J. Calhorda, F. Canales, M. C. Gimeno, J. Jiménez, P. G. Jones, A. Laguna, L. F. Veiros. Organometallics 1997, 16, 3837-3844.

  24. Hydrocarbyl Derivatives of [UCl2{HB(pz)3}2]: Synthesis, Characterization and Reactivity Studies towards Protic Substrates and Ketones. M. P. C. Campelo, M. J. Calhorda, A. Domingos, A. Galvão, J. P. Leal, A. Pires de Matos, I. Santos. Journal of Organometallic Chemistry 1997, 538, 223-239.

  25. Bi- and Trimetallic σ-Acetylide Complexes Connected through a Phenyl Ring in the Fe(Cp*)(dppe) Series. T. Weyland, C. Lapinte, G. Frapper, M. J. Calhorda, J.-F. Halet, L. Toupet. Organometallics 1997, 16, 2024-2031.

  26. Bonding of Acetone to Rh(111) and the Effect of Oxygen. M. J. Calhorda, P. E. M. Lopes. Anales de Quimica - International Edition 1997, 93, 119-124.

  27. Synthesis, Molecular and Electronic Structure of two New Ru3 Isomeric Clusters Carrying C8 Rings Bonded in an Allenylic and an Acetylenic Mode. D. B. Brown, B. F. G. Johnson, Dario Braga, F. Grepioni, M. J. Calhorda, L. F. Veiros. Journal of the Chemical Society, Dalton Transactions 1997, 547-552

  28. Synthesis and Molecular Structure of Tetraruthenium Cluster Isomers with Different Electron Counts. D. B. Brown, B. F. G. Johnson, D. Braga, F. Grepioni, M. J. Calhorda. Organometallics 1996, 15, 5723-5728.

  29. Organometallic Cluster Complexes with Face-capping Arene Ligands. 8. Nucleophilic Reactivity of Cluster Complexes with Face-capping Arene Ligands: Metal vs. Ligand Protonation. H. Wadepohl, M. J. Calhorda, M. Herrmann, C. Jost, P. E. M. Lopes, H. Pritzkow. Organometallics 1996, 15, 5622-5634.

  30. Tetraaza Macrocycles Containing Pyridine and their Cu(II) and Ni(II) Complexes: X-ray , Spectroscopic, Molecular Mechanics and Molecular Orbital Studies. V. Félix, M. J. Calhorda, J. Costa, R. Delgado, C. Brito, M. T. Duarte, T. Arcos, M. G. B. Drew. Journal of the Chemical Society, Dalton Transactions 1996, 4543-4553.

  31. Surface Models for the Adsorption of a Calcium β-diketonate Complex on Calcium Sulfide. M. J. Calhorda, L. F. Veiros, L. Niinistö. Acta Chemica Scandinavica 1996, 50, 862-870.

  32. How Bridging Ligands and Neighbour Groups Tune the Gold-Gold Bond Strength. M. J. Calhorda, L. F. Veiros. Journal of Organometallic Chemistry 1996, 510, 71-81.

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