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51

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

52

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

53

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

54

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

55

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

56

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

57

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

58

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

59

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

60

Hepta-coordinate halocarbonyl molybdenum(II) and tungsten(II) complexes as heterogeneous polymerization catalysts

Jorge Gimenez, Carla D. Nunes, Pedro D. Vaz, Anabela A. Valente, Paula Ferreira, Maria José Calhorda

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2006

Language:

english

File:

PDF, 229 KB

english, 2006

61

The effect of immobilization on the catalytic activity of molybdenum η3-allyldicarbonyl complexes with nitrogen donor ligands bearing N–H groups

Marta S. Saraiva, Carla D. Nunes, Teresa G. Nunes, Maria José Calhorda

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2010

Language:

english

File:

PDF, 773 KB

english, 2010

62

Bonding and structural preferences of indenyl complexes: MInd2Ln (n=0–3)

Maria José Calhorda, Vitor Félix, Luı́s F Veiros

Journal:

Coordination Chemistry Reviews

Year:

2002

Language:

english

File:

PDF, 715 KB

english, 2002

63

Ring slippage in indenyl complexes: structure and bonding

Maria José Calhorda, Luı́s F. Veiros

Journal:

Coordination Chemistry Reviews

Year:

1999

Language:

english

File:

PDF, 288 KB

english, 1999

64

Energetics of organometallic species : Edited by J.A. Martinho Simoes, NATO ASI Series - Series C: Mathematical and Physical Sciences - Vol. 367, published by Kluwer, Dordrecht, Netherlands, 1992, ISBN 0-7923-1707-6.

Maria J. Calhorda, Carlo Mealli

Journal:

Inorganica Chimica Acta

Year:

1993

Language:

english

File:

PDF, 154 KB

english, 1993

65

Heptacoordinate dithiophosphate W(II) and Mo(II) complexes of diphosphines and iodide

Huizhang Liu, Maria José Calhorda, Vitor Félix, Michael G.B. Drew, Luı́s F. Veiros

Journal:

Inorganica Chimica Acta

Year:

2002

Language:

english

File:

PDF, 401 KB

english, 2002

66

Ag(I) and Cu(I) complexes of tetramethyldiphosphinedisulfide: synthesis and structure

Huizhang Liu, Maria José Calhorda, Michael G.B Drew, Vitor Félix

Journal:

Inorganica Chimica Acta

Year:

2003

Language:

english

File:

PDF, 169 KB

english, 2003

67

Structural preferences of 20-electron bisindenyl complexes of Group 6 metals: a DFT study

Maria José Calhorda, Luı́s F Veiros

Journal:

Inorganica Chimica Acta

Year:

2003

Language:

english

File:

PDF, 326 KB

english, 2003

68

TeTe interactions in inorganic rings with sulfur donors

Nuno A.G Bandeira, Luı́s F Veiros, Maria J Calhorda, Josef Novosad

Journal:

Inorganica Chimica Acta

Year:

2003

Language:

english

File:

PDF, 635 KB

english, 2003

69

Cyanide–isocyanide isomers in polynuclear complexes. Reactivity and theoretical studies

Maria J Calhorda, Paulo J Costa, Michael G.B Drew, Vitor Félix, Carla A Gamelas, Isabel S Gonçalves, Cláudia C.L Pereira, Carlos C Romão

Journal:

Inorganica Chimica Acta

Year:

2003

Language:

english

File:

PDF, 514 KB

english, 2003

70

Structural characterisation and DFT studies of [Cr(cyclam)(O-dmso)Cl]2+: a new precursor complex towards potential DNA intercalators

Vitor Félix, Teresa M Santos, João Madureira, Fátima Mirante, Susana Quintal, Brian J Goodfellow, M.G Santana-Marques, Júlio Pedrosa de Jesus, Michael G.B Drew, Maria José Calhorda

Journal:

Inorganica Chimica Acta

Year:

2003

Language:

english

File:

PDF, 340 KB

english, 2003

71

Structural preferences of ν4-dienecyclopentadienyl complexes: molecular mechanics, molecular orbital and crystallographic studies

Vitor Félix, Maria José Calhorda, Michael G.B. Drew, Isabel S. Gonçalves, Carlos C. Romão

Journal:

Inorganica Chimica Acta

Year:

1998

Language:

english

File:

PDF, 1.45 MB

english, 1998

72

From molecules to aggregates: crystal structures of molybdenum binuclear complexes

Patrı́cia Pinto, Eva Barranco, Maria José Calhorda, Vitor Félix, Michael G.B Drew

Journal:

Journal of Organometallic Chemistry

Year:

2000

Language:

english

File:

PDF, 210 KB

english, 2000

73

An ‘atoms in molecules’ (AIM) analysis of the dihydrogen bond in organometallic compounds

Maria José Calhorda, Pedro E.M Lopes

Journal:

Journal of Organometallic Chemistry

Year:

2000

Language:

english

File:

PDF, 396 KB

english, 2000

74

Synthesis, X-ray structure, and theoretical studies of novel cationic mono-cyclopentadienyl complexes of Co(III): the orthometalation of trans-azobenzene

Teresa Avilés, António Dinis, Maria José Calhorda, Patrı́cia Pinto, Vitor Félix, Michael G.B. Drew

Journal:

Journal of Organometallic Chemistry

Year:

2001

Language:

english

File:

PDF, 181 KB

english, 2001

75

Extended hückel molecular orbital calculations on fused pentagonal bipyramidal metallocarboranes containing wedge ligands such as BH, Sn, OR Ge

Maria J. Calhorda, D.Michael P. Mingos

Journal:

Journal of Organometallic Chemistry

Year:

1982

Language:

english

File:

PDF, 1.13 MB

english, 1982

76

Theoretical comparison of the “slip” distortion and rotational barriers in comparable seven and twelve vertex carbaplatinaboranes

Maria J. Calhorda, D.Michael P. Mingos, Alan J. Welch

Journal:

Journal of Organometallic Chemistry

Year:

1982

Language:

english

File:

PDF, 859 KB

english, 1982

77

Derivatives of M(η5-C5H5)2 (M = Mo, W) with alkenylpyridines and related ligands

Maria J. Calhorda, Alberto R. Dias

Journal:

Journal of Organometallic Chemistry

Year:

1980

Language:

english

File:

PDF, 700 KB

english, 1980

78

Di-η5-cyclopentadienylmetal complexes with nitrogen donor atom ligands: New imidazole, N-methylimidazole, pyrazole and 2,2′-bisimidazole complexes of molybdenum and tungsten

Maria J. Calhorda, Alberto R. Dias

Journal:

Journal of Organometallic Chemistry

Year:

1980

Language:

english

File:

PDF, 785 KB

english, 1980

79

Metal-carbon “bond strengths” in Cr(CO)6, Cr(η-C6H6)2, and Cr(CO)3(η-C6H6)

Maria J. Calhorda, Carlos F. Fraza˜o, J.A. Martinho Simo˜es

Journal:

Journal of Organometallic Chemistry

Year:

1984

Language:

english

File:

PDF, 508 KB

english, 1984

80

Metal–metal interaction in polynuclear complexes with cyanide bridges: synthesis, characterisation, and theoretical studies

Maria J Calhorda, Michael G.B Drew, Vitor Félix, Luı́s P Fonseca, Carla A Gamelas, Sofia S.M.C Godinho, Isabel S Gonçalves, E Hunstock, João P Lopes, A Jorge Parola, Fernando Pina, Carlos C Romão, A G

Journal:

Journal of Organometallic Chemistry

Year:

2001

Language:

english

File:

PDF, 244 KB

english, 2001

81

Heptacoordinate dithiophosphate Mo(II) and W(II) complexes: molecular structures of mono and binuclear phosphine complexes

Huizhang Liu, Maria José Calhorda, Vitor Félix, Michael G.B Drew

Journal:

Journal of Organometallic Chemistry

Year:

2001

Language:

english

File:

PDF, 299 KB

english, 2001

82

Organometallic Chemistry in Portugal

Maria José Calhorda, Carlos C Romão

Journal:

Journal of Organometallic Chemistry

Year:

2001

Language:

english

File:

PDF, 57 KB

english, 2001

83

Bis(indenyl) complexes of Fe, Co, and Ni: electronic structure and preferences

Maria José Calhorda, Luı́s F Veiros

Journal:

Journal of Organometallic Chemistry

Year:

2001

Language:

english

File:

PDF, 180 KB

english, 2001

84

Ruthenium-mediated cyclotrimerization of alkynes utilizing the cationic complex [RuCp(CH3CN)3]PF6

Eva Rüba, Roland Schmid, Karl Kirchner, Maria José Calhorda

Journal:

Journal of Organometallic Chemistry

Year:

2003

Language:

english

File:

PDF, 346 KB

english, 2003

85

Hydrocarbyl derivatives of [UCl2HB(pz)32]: Synthesis, characterization and reactivity studies towards protic substrates and ketones

M. Paula C. Campello, Maria José Calhorda, Ângela Domingos, Adelino Galvão, João Paulo Leal, A. Pires de Matos, Isabel Santos

Journal:

Journal of Organometallic Chemistry

Year:

1997

Language:

english

File:

PDF, 1.63 MB

english, 1997

86

Ferrocenylsilatranes a synthetic, structural and theoretical investigation

Maria J. Calhorda, Pedro E.M. Lopes, Annette Schier, Rudolf Herrmann

Journal:

Journal of Organometallic Chemistry

Year:

1997

Language:

english

File:

PDF, 909 KB

english, 1997

87

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)

Cristina G. de Azevedo, Maria J. Calhorda, M.A.A.F. de C.T. Carrondo, Alberto R. Dias, M. Teresa Duarte, Adelino M. Galvão, Carla A. Gamelas, Isabel S. Gonçalves, Fátima M. da Piedade, Carlos C. Romão

Journal:

Journal of Organometallic Chemistry

Year:

1997

Language:

english

File:

PDF, 1.81 MB

english, 1997

88

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(C6H5)3}(NCC6H4NH2)][PF6]

Alberto R. Dias, M.Helena Garcia, Paulo Mendes, M.Fátima M. Piedade, M.Teresa Duarte, Maria J. Calhorda, Carlo Mealli, W. Wenseleers, A.W. Gerbrandij, Etienne Goovaerts

Journal:

Journal of Organometallic Chemistry

Year:

1998

Language:

english

File:

PDF, 545 KB

english, 1998

89

Mono- and heterometallic carbonyl precursor based RuMo/Al2O3 catalysts: hydrodesulfurization activity and temperature programmed studies

Patrı́cia Pinto, Maria José Calhorda, Thomas Straub, Ville Miikkulainen, Jarkko Räty, Mika Suvanto, Tapani A Pakkanen

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2001

Language:

english

File:

PDF, 105 KB

english, 2001

90

Electronic structure and properties of camphorimine Cu(I) coordination polymers

Tiago A. Fernandes, M. Fernanda N. N. Carvalho, Adelino M. Galvão, Nuno A. G. Bandeira, Maria José Calhorda, Ana M. Botelho do Rego

Journal:

Journal of Polymer Science Part A: Polymer Chemistry

Year:

2012

Language:

english

File:

PDF, 1.12 MB

english, 2012

91

Syntheses and Crystal Structures of Polynuclear Cu(I) Complexes Containing the 1,1′-Bis-(diphenylphosphino)-ferrocene Ligand

Patrícia Pinto, Maria J. Calhorda, Vitor Félix, Teresa Avilés, Michael G. B. Drew

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2000

Language:

english

File:

PDF, 288 KB

english, 2000

92

Electronic Structure and Hydrogen Bonding in a Dicobalt(III) Werner Complex

Nuno A. G. Bandeira, Maria José Calhorda

Journal:

Structural Chemistry

Year:

2005

Language:

english

File:

PDF, 373 KB

english, 2005

93

Can five-membered Te2N2S rings be considered aromatic?

Nuno A. G. Bandeira, Clémence Corminboeuf, Maria José Calhorda

Journal:

Structural Chemistry

Year:

2007

Language:

english

File:

PDF, 352 KB

english, 2007

94

Synthesis, characterization and bonding of fulvalene dimolybdenum(III) and ditungsten(III) cations with one thiolate bridging ligand. Crystal structure of [Mo2(μ-η5: η5-C10H8)(μ-SC6H5)(μ5-C5H5) 2][Re2(μ-SC6H5)3(CO)6]

Maria J. Calhorda, Maria A.A.F. de C.T. Carrondo, Alberto R. Dias, Vitor FéIix, Adelino M. Galvão, M.Helena Garcia, Pedro M. Matias, Maria J. Villa de Brito

Journal:

Journal of Organometallic Chemistry

Year:

1993

Language:

english

File:

PDF, 1.08 MB

english, 1993

95

Mono- and binuclear bipyridyl derivatives of the Mo(η3-C3H5)(CO)2 fragment: structural studies and fluxionality in solution

Pedro M.F.J Costa, Márcia Mora, Maria José Calhorda, Vitor Félix, Paula Ferreira, Michael G.B Drew, Hubert Wadepohl

Journal:

Journal of Organometallic Chemistry

Year:

2003

Language:

english

File:

PDF, 558 KB

english, 2003

96

Cu(I) and Ag(I) complexes of chalcogenide derivatives of the organometallic ligand dppf and the dppa analogue

Huizhang Liu, Nuno A.G. Bandeira, Maria José Calhorda, Michael G.B. Drew, Vitor Félix, Josef Novosad, Fabrizia Fabrizi de Biani, Piero Zanello

Journal:

Journal of Organometallic Chemistry

Year:

2004

Language:

english

File:

PDF, 564 KB

english, 2004

97

MO architectures of octahedral metal clusters

Carlo Mealli, José A. López, Yan Sun, Maria J. Calhorda

Journal:

Inorganica Chimica Acta

Year:

1993

Language:

english

File:

PDF, 1.53 MB

english, 1993

98

Interplay of ketenyl and nitrile ligands on d6-transition metal centres. Acetonitrile as an end-on (two-electron) and a side-on (four-electron) ligand

Hubert Wadepohl, Ulrich Arnold, Hans Pritzkow, Maria José Calhorda, Luı́s F. Veiros

Journal:

Journal of Organometallic Chemistry

Year:

1999

Language:

english

File:

PDF, 290 KB

english, 1999

99

Olefin Epoxidation Catalyzed by η5-Cyclopentadienyl Molybdenum Compounds: A Computational Study

Costa, Paulo J., Calhorda, Maria José, Kühn, Fritz E.

Journal:

Organometallics

Year:

2010

Language:

english

File:

PDF, 3.33 MB

english, 2010

100

Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study

Đaković, Marijana, Vila-Viçosa, Diogo, Calhorda, Maria José, Popović, Zora

Journal:

Year:

2011

Language:

english

File:

PDF, 442 KB

english, 2011