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1

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

Carolina Moura, Célia Fernandes, Lurdes Gano, António Paulo, Isabel C. Santos, Isabel Santos, Maria José Calhorda

Journal:

Journal of Organometallic Chemistry

Year:

2009

Language:

english

File:

PDF, 632 KB

english, 2009

2

Indenyl effect in dissociative reactions. Nucleophilic substitution in iron carbonyl complexes: a case study

Veiros, Luis F., Calhorda, Maria José

Journal:

Dalton Transactions

Year:

2011

Language:

english

File:

PDF, 1.14 MB

english, 2011

3

Olefin epoxidation with tert-butyl hydroperoxide catalyzed by MoO2X2L complexes: a DFT mechanistic study

Veiros, Luís F., Prazeres, Ângela, Costa, Paulo J., Romão, Carlos C., Kühn, Fritz E., José Calhorda, Maria

Journal:

Dalton Transactions

Year:

2006

Language:

english

File:

PDF, 329 KB

english, 2006

4

Mechanism for the Cyclotrimerization of Alkynes and Related Reactions Catalyzed by CpRuCl

Kirchner, Karl, Calhorda, Maria José, Schmid, Roland, Veiros, Luís F.

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 321 KB

english, 2003

5

Syntheses, electrochemistry, and bonding of bis(cyclopentadienyl)molybdenum alkyl complexes. Molecular structure of Mo(.eta.5-C5H5)2(C4H9)2. Thermochemistry of Mo(.eta.5-C5H5)2R2 and Mo(.eta.5-C5H5)2L (R = CH3, C2H5, C4H9; L = ethylene, diphenylacetylene)

Calhorda, Maria Jose., Carrondo, Maria A. A. F. de C. T., Dias, Alberto R., Galvao, Adelino M., Garcia, M. Helena., Martins, Ana M., Minas da Piedade, Manuel E., Pinheiro, Carla I., Romao, Carlos C.,

Journal:

Organometallics

Year:

1991

Language:

english

File:

PDF, 1.62 MB

english, 1991

6

Organometallic Cluster Complexes with Face-Capping Arene Ligands. 8. Nucleophilic Reactivity of Cluster Complexes with Face-Capping Arene Ligands: Metal vs Ligand Protonation †

Wadepohl, Hubert, Calhorda, Maria José, Herrmann, Michael, Jost, Christof, Lopes, Pedro E. M., Pritzkow, Hans

Journal:

Organometallics

Year:

1996

Language:

english

File:

PDF, 367 KB

english, 1996

7

Electrochemical studies and potential anticancer activity in ferrocene derivatives

Realista, Sara, Quintal, Susana, Martinho, Paulo N., Melato, Ana I., Gil, Adrià, Esteves, Teresa, Carvalho, Maria De Deus, Ferreira, Liliana P., Vaz, Pedro D., Calhorda, Maria José

Journal:

Journal of Coordination Chemistry

Year:

2016

Language:

english

File:

PDF, 884 KB

english, 2016

8

Zirconocene Catalysts: Ion-pairs, Zwitterions, or Weakly Bound Molecules?

Dario Braga, Fabrizia Grepioni, Emilio Tedesco, Maria José Calhorda

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2000

Language:

english

File:

PDF, 194 KB

english, 2000

9

Theoretical Studies of [Os3(CO)10(α-Diimine)]: Structures, Frontier Orbitals and Bonding

Maria José Calhorda, Elke Hunstock, Luís F. Veiros, František Hartl

Journal:

European Journal of Inorganic Chemistry

Year:

2001

Language:

english

File:

PDF, 547 KB

english, 2001

10

The Nature of the Indenyl Effect

Maria José Calhorda, Carlos C. Romão, Luis F. Veiros

Journal:

Chemistry - A European Journal

Year:

2002

Language:

english

File:

PDF, 278 KB

english, 2002

11

Selective CC Bond Formation between Alkynes Mediated by the [RuCp(PR3)]+ Fragment Leading to Allyl, Butadienyl, and Allenyl Carbene Complexes—An Experimental and Theoretical Study

Eva Rüba, Kurt Mereiter, Roland Schmid, Valentin N. Sapunov, Karl Kirchner, Herwig Schottenberger, Maria José Calhorda, Luis F. Veiros

Journal:

Chemistry - A European Journal

Year:

2002

Language:

english

File:

PDF, 812 KB

english, 2002

12

Rutheniumkatalysierte allylische Alkylierung – carbonathaltige Katalysatoren und Zwischenstufen

René Hermatschweiler, Ignacio Fernández, Frank Breher, Paul S. Pregosin, Luis F. Veiros, Maria José Calhorda

Journal:

Angewandte Chemie

Year:

2005

Language:

german

File:

PDF, 355 KB

german, 2005

13

Ruthenium-katalysierte Friedel-Crafts-Allylierungen mithilfe dikationischer RuIV-Katalysatoren

Ignacio Fernández, René Hermatschweiler, Frank Breher, Paul S. Pregosin, Luis F. Veiros, Maria José Calhorda

Journal:

Angewandte Chemie

Year:

2006

Language:

german

File:

PDF, 194 KB

german, 2006

14

Ruthenium-Catalyzed Allylic Alkylation Reactions: Carbonate-Based Catalysts and Intermediates

René Hermatschweiler, Ignacio Fernández, Frank Breher, Paul S. Pregosin, Luis F. Veiros, Maria José Calhorda

Journal:

Angewandte Chemie International Edition

Year:

2005

Language:

english

File:

PDF, 371 KB

english, 2005

15

High-Yield Ruthenium-Catalyzed Friedel–Crafts-Type Allylation Reactions Using Dicationic RuIV Catalysts

Ignacio Fernández, René Hermatschweiler, Frank Breher, Paul S. Pregosin, Luis F. Veiros, Maria José Calhorda

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 192 KB

english, 2006

16

By What Mechanisms Are Metal Cyclobutadiene Complexes Formed from Alkynes?

Luís F. Veiros, Georg Dazinger, Karl Kirchner, Maria José Calhorda, Roland Schmid

Journal:

Chemistry - A European Journal

Year:

2004

Language:

english

File:

PDF, 566 KB

english, 2004

17

Catalyzing Aldehyde Hydrosilylation with a Molybdenum(VI) Complex: A Density Functional Theory Study

Paulo Jorge Costa, Carlos C. Romão, Ana C. Fernandes, Beatriz Royo, Patrícia M. Reis, Maria José Calhorda

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 302 KB

english, 2007

18

Vibrational Study on the Local Structure of Post-Synthesis and Hybrid Mesoporous Materials: Are There Fundamental Distinctions?

Pedro D. Vaz, Carla D. Nunes, Maria Vasconcellos-Dias, Mariela M. Nolasco, Paulo J. A. Ribeiro-Claro, Maria José Calhorda

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 268 KB

english, 2007

19

Chemoselectivity as a Delineator of Cuprate Structure in Catalytic 1,4-Addition of Diorganozinc Reagents to Michael Acceptors

Matthias Welker, Simon Woodward, Luis F. Veiros, Maria José Calhorda

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 386 KB

english, 2010

20

ChemInform Abstract: Zirconocene Catalysts: Ion-Pairs, Zwitterions, or Weakly Bound Molecules?

Dario Braga, Fabrizia Grepioni, Emilio Tedesco, Maria Jose Calhorda

Journal:

Year:

2000

File:

PDF, 24 KB

2000

21

ChemInform Abstract: Transition Metal Clusters — The Relationship Between Molecular and Crystal Structure

Maria Jose Calhorda, Dario Braga, Fabrizia Grepioni

Journal:

Year:

2000

File:

PDF, 24 KB

2000

22

ChemInform Abstract: Haptotropic Shifts of Indenyl and Other Related π-Ligands.

Maria Jose Calhorda, Luis F. Veiros

Journal:

Year:

2002

File:

PDF, 27 KB

2002

23

ChemInform Abstract: Mapping the Mechanism of Nickel-Ferrophite Catalyzed Methylation of Baylis—Hillman-Derived SN2′ Electrophiles.

Andrew Novak, Maria Jose Calhorda, Paulo Jorge Costa, Simon Woodward

Journal:

Year:

2009

File:

PDF, 43 KB

2009

24

ChemInform Abstract: Expanding the Role of Oxomolybdenum(VI) Catalysts: A DFT Interpretation of X—H Activation Leading to Reduction or Oxidation

Maria Jose Calhorda, Paulo Jorge Costa

Journal:

Year:

2010

File:

PDF, 15 KB

2010

25

ChemInform Abstract: MoO2Cl2 as a Novel Catalyst for C—P Bond Formation and for Hydrophosphonylation of Aldehydes.

Rita G. de Noronha, Paulo Jorge Costa, Carlos C. Romao, Maria Jose Calhorda, Ana C. Fernandes

Journal:

Year:

2010

File:

PDF, 34 KB

2010

26

ChemInform Abstract: Benzene and Heterocyclic Rings Formation in Cycloaddition Reactions Catalyzed by RuCp Derivatives: DFT Studies

Maria Jose Calhorda, Paulo J. Costa, Karl A. Kirchner

Journal:

Year:

2011

File:

PDF, 18 KB

2011

27

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

Javier E. Aguado, Maria José Calhorda, Paulo J. Costa, Olga Crespo, Vitor Félix, M. Concepción Gimeno, Peter G. Jones, Antonio Laguna

Journal:

European Journal of Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 250 KB

english, 2004

28

New Polynuclear Mo–Fe Complexes with Ferrocenylamidobenzimidazole Ligands

Paulo N. Martinho, Susana Quintal, Paulo J. Costa, Serena Losi, Vitor Félix, M. Concepción Gimeno, Antonio Laguna, Michael G. B. Drew, Piero Zanello, Maria José Calhorda

Journal:

European Journal of Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 221 KB

english, 2006

29

Pyridine Carboxylate Complexes of MoII as Active Catalysts in Homogeneous and Heterogeneous Polymerization

Maria Vasconcellos-Dias, Carla D. Nunes, Pedro D. Vaz, Paula Ferreira, Maria José Calhorda

Journal:

European Journal of Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 178 KB

english, 2007

30

Mapping the Mechanism of Nickel-Ferrophite Catalysed Methylation of Baylis–Hillman-Derived SN2′ Electrophiles

Andrew Novak, Maria José Calhorda, Paulo Jorge Costa, Simon Woodward

Journal:

European Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 390 KB

english, 2009

31

Structure, Characterization, and Metal-Complexation Properties of a New Tetraazamacrocycle Containing Two Phenolic Pendant Arms

Xiuling Cui, Maria José Calhorda, Paulo J. Costa, Rita Delgado, Michael G. B. Drew, Vítor Félix

Journal:

Helvetica Chimica Acta

Year:

2004

Language:

english

File:

PDF, 290 KB

english, 2004

32

Enthalpies of formation of Ti(η-C5H5)2L2 complexes (L = 3-CH3C6H4, 4-CH3C6H4, 4-CF3C6H4, and 4-CH3OC6H4)

Maria J. Calhorda, Alberto R. Dias, Margarida S. Salema, José A. Martinho Simões

Journal:

Journal of Organometallic Chemistry

Year:

1983

Language:

english

File:

PDF, 392 KB

english, 1983

33

Estimation of stepwise M-L bond dissociation enthalpies in M(η-C5H5)2L2 complexes

Maria J. Calhorda, Alberto R. Dias, Adelino M. Galvão, José A. Martinho Simões

Journal:

Journal of Organometallic Chemistry

Year:

1986

Language:

english

File:

PDF, 565 KB

english, 1986

34

Nuclear magnetic resonance studies of sulfur inversion in bis(cyclopentadienyl)-molybdenum and -tungsten complexes with dithioethers

José R. Ascenso, Maria de Deus Carvalho, Alberto R. Dias, Carlos C. Romão, Maria J. Calhorda, Luis F. Veiros

Journal:

Journal of Organometallic Chemistry

Year:

1994

Language:

english

File:

PDF, 542 KB

english, 1994

35

How bridging ligands and neighbouring groups tune the gold-gold bond strength

Luis F. Veiros, Maria José Calhorda

Journal:

Journal of Organometallic Chemistry

Year:

1996

Language:

english

File:

PDF, 1.12 MB

english, 1996

36

A DFT and MP2 study of luminescence of gold(I) complexes

Paulo J. Costa, Maria José Calhorda

Journal:

Inorganica Chimica Acta

Year:

2006

Language:

english

File:

PDF, 247 KB

english, 2006

37

Synthesis and properties of new trinuclear Mo(II) complexes containing imidazole and benzimidazole ferrocene units

Susana Quintal, João Matos, Inês Fonseca, Vitor Félix, Michael G.B. Drew, Nuno Trindade, Margarida Meireles, Maria José Calhorda

Journal:

Inorganica Chimica Acta

Year:

2008

Language:

english

File:

PDF, 662 KB

english, 2008

38

The role of cyclopentadienyl versus indenyl in Mo(II) spirodiene complexes reactivity: A DFT mechanistic study

Luis F. Veiros, Jan Honzíček, Carlos C. Romão, Maria José Calhorda

Journal:

Inorganica Chimica Acta

Year:

2010

Language:

english

File:

PDF, 595 KB

english, 2010

39

Synthesis and characterisation of organo-silica hydrophobic clay heterostructures for volatile organic compounds removal

Carla D. Nunes, João Pires, Ana P. Carvalho, Maria José Calhorda, Paula Ferreira

Journal:

Microporous and Mesoporous Materials

Year:

2008

Language:

english

File:

PDF, 656 KB

english, 2008

40

Synthesis and catalytic properties of manganese(II) and oxovanadium(IV) complexes anchored to mesoporous MCM-41

Tiago A. Fernandes, Carla D. Nunes, Pedro D. Vaz, Maria José Calhorda, Paula Brandão, João Rocha, Isabel S. Gonçalves, Anabela A. Valente, Liliana P. Ferreira, Margarida Godinho, Paula Ferreira

Journal:

Microporous and Mesoporous Materials

Year:

2008

Language:

english

File:

PDF, 448 KB

english, 2008

41

Activity of Mo(II) allylic complexes supported in MCM-41 as oxidation catalysts precursors

Marta S. Saraiva, Newton L. Dias Filho, Carla D. Nunes, Pedro D. Vaz, Teresa G. Nunes, Maria José Calhorda

Journal:

Microporous and Mesoporous Materials

Year:

2009

Language:

english

File:

PDF, 620 KB

english, 2009

42

A new interpretation of the bonding properties and UV–vis spectra of [M3(CO)12] clusters (M = Ru, Os): a TD-DFT study

Maria José Calhorda, Paulo J. Costa, František Hartl, Frank W. Vergeer

Journal:

Comptes Rendus Chimie

Year:

2005

File:

PDF, 457 KB

2005

43

Mo(II) complexes: A new family of cytotoxic agents?

Daniel Bandarra, Miguel Lopes, Telma Lopes, Joana Almeida, Marta S. Saraiva, Maria Vasconcellos-Dias, Carla D. Nunes, Vitor Félix, Paula Brandão, Pedro D. Vaz, Margarida Meireles, Maria José Calhorda

Journal:

Journal of Inorganic Biochemistry

Year:

2010

Language:

english

File:

PDF, 594 KB

english, 2010

44

Structural preferences of cyclopentadienyl and indenyl rings in iridium(I) carbene complexes

Martina Prinz, Luís F. Veiros, Maria José Calhorda, Carlos C. Romão, Eberhardt Herdtweck, Fritz E. Kühn, Wolfgang A. Herrmann

Journal:

Journal of Organometallic Chemistry

Year:

2006

Language:

english

File:

PDF, 601 KB

english, 2006

45

Formation of pyridine from acetylenes and nitriles catalyzed by RuCpCl, CoCp, and RhCp derivatives – A computational mechanistic study

Georg Dazinger, Marta Torres-Rodrigues, Karl Kirchner, Maria José Calhorda, Paulo J. Costa

Journal:

Journal of Organometallic Chemistry

Year:

2006

Language:

english

File:

PDF, 470 KB

english, 2006

46

Synthesis and ligand properties towards gold and silver of the ferrocenylamidobenzimidazole ligand

Maria José Calhorda, Paulo J. Costa, Paulo N. Martinho, M. Concepción Gimeno, Antonio Laguna, Susana Quintal, M. Dolores Villacampa

Journal:

Journal of Organometallic Chemistry

Year:

2006

Language:

english

File:

PDF, 274 KB

english, 2006

47

Nitrogen donor ligands bearing N–H groups: Effect on catalytic and cytotoxic activity of molybdenum η3-allyldicarbonyl complexes

Marta S. Saraiva, Susana Quintal, Fátima C.M. Portugal, Telma A. Lopes, Vitor Félix, José M.F. Nogueira, Margarida Meireles, Michael G.B. Drew, Maria José Calhorda

Journal:

Journal of Organometallic Chemistry

Year:

2008

Language:

english

File:

PDF, 485 KB

english, 2008

48

Silver(I) and copper(I) complexes with ferrocenyl ligands bearing imidazole or pyridyl substituents

Susana Quintal, M. Concepción Gimeno, Antonio Laguna, Maria José Calhorda

Journal:

Journal of Organometallic Chemistry

Year:

2010

Language:

english

File:

PDF, 695 KB

english, 2010

49

Synthesis and properties of new Mo(II) complexes with N-heterocyclic and ferrocenyl ligands

Susana Quintal, Serena Fedi, Jacopo Barbetti, Patrícia Pinto, Vitor Félix, Michael G.B. Drew, Piero Zanello, Maria José Calhorda

Journal:

Journal of Organometallic Chemistry

Year:

2011

Language:

english

File:

PDF, 976 KB

english, 2011

50

Synthesis and characterisation of hybrid mesoporous materials with the 1,4-diazobutadiene ligand

Carla D. Nunes, Pedro D. Vaz, Paula Brandão, João Rocha, Paula Ferreira, Nicolas Bion, Maria José Calhorda

Journal:

Microporous and Mesoporous Materials

Year:

2006

Language:

english

File:

PDF, 248 KB

english, 2006