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51

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

52

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

53

Chemoselective Sulfide and Sulfoxide Oxidations by CpMo(CO)3Cl/HOOR: a DFT Mechanistic Study

Veiros, Luis F., Gamelas, Carla A., Calhorda, Maria José, Romão, Carlos C.

Journal:

Organometallics

Year:

2011

File:

PDF, 235 KB

2011

54

Stereoelectronic causes of an unusual coordination geometry of an acetylene

Calhorda, Maria Jose., Hoffmann, Roald.

Journal:

Organometallics

Year:

1986

Language:

english

File:

PDF, 687 KB

english, 1986

55

Agostic bonds in (MCH3)+ fragments. Implications for M+-CH3 bond dissociation energies

Calhorda, Maria J., Simoes, Jose A. Martinho.

Journal:

Organometallics

Year:

1987

Language:

english

File:

PDF, 323 KB

english, 1987

56

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

57

Can self-assembly of copper(ii) picolinamide building blocks be controlled?

Đaković, Marijana, Vila-Viçosa, Diogo, Bandeira, Nuno A. G., Calhorda, Maria José, Kozlevčar, Bojan, Jagličić, Zvonko, Popović, Zora

Journal:

Year:

2013

Language:

english

File:

PDF, 2.59 MB

english, 2013

58

Activation of Molecular Hydrogen over a Binuclear Complex with Rh 2 S 2 Core: DFT Calculations and NMR Mechanistic Studies

Ienco, Andrea, Calhorda, Maria José, Reinhold, Joachim, Reineri, Francesca, Bianchini, Claudio, Peruzzini, Maurizio, Vizza, Francesco, Mealli, Carlo

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 271 KB

english, 2004

59

Intramolecular and Intermolecular Bonding in Crystalline Clusters of the Type (CpR)3M3(CO)3 [M = Co, Rh, Ir; CpR = C5H5, C5Me5, C5H4Me]

Braga, Dario, Grepioni, Fabrizia, Wadepohl, Hubert, Gebert, Stefan, Calhorda, Maria Jose, Veiros, Luis F.

Journal:

Organometallics

Year:

1995

Language:

english

File:

PDF, 2.51 MB

english, 1995

60

Geometry Optimization of a Ru(IV) Allyl Dicationic Complex: A DFT Failure?

Calhorda, Maria José, Pregosin, Paul S., Veiros, Luis F.

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 95 KB

english, 2007

61

Haptotropic Shifts of Indenyl and Other Related π Ligands

Calhorda, Maria José, Veiros, LuíS F.

Journal:

Comments on Inorganic Chemistry

Year:

2001

Language:

english

File:

PDF, 731 KB

english, 2001

62

Molybdenum(II) catalyst precursors in olefin oxidation reactions

Nunes, Carla D., Calhorda, Maria José

Journal:

Inorganica Chimica Acta

Year:

2015

Language:

english

File:

PDF, 814 KB

english, 2015

63

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

Gil, Adrià, Melle-Franco, Manuel, Branchadell, Vicenç, Calhorda, Maria José

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.46 MB

english, 2015

64

Accurate Description of Low-Lying Excited States in a Series of Photoreactive Clusters [Os 3 (CO) 10 (α-diimine)] by DFT Calculations

Hartl, František, Bakker, Maarten J., Santos, Vanessa F., Costa, Paulo J., Calhorda, Maria José

Journal:

Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 3.85 MB

english, 2018

65

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

66

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

67

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

68

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

69

Dinuclear Zinc-N-Heterocyclic Carbene Complexes for Either the Controlled Ring-Opening Polymerization of Lactide or the Controlled Degradation of Polylactide Under Mild Conditions

Fliedel, Christophe, Vila-Viçosa, Diogo, Calhorda, Maria José, Dagorne, Samuel, Avilés, Teresa

Journal:

Year:

2014

Language:

english

File:

PDF, 1.86 MB

english, 2014

70

Intramolecular and Intermolecular Bonding in Benzene Cluster Isomers

Braga, Dario, Dyson, Paul J., Grepioni, Fabrizia, Johnson, Brian F. G., Calhorda, Maria Jose

Journal:

Inorganic Chemistry

Year:

1994

Language:

english

File:

PDF, 1.27 MB

english, 1994

71

Adsorption and reactions of cyclic sulfides on molybdenum(110)

Calhorda, Maria Jose, Hoffmann, Roald, Friend, Cynthia M.

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 1.33 MB

english, 1990

72

Synthesis and reactivity of TADDOL-based chiral Fe( ii ) PNP pincer complexes-solution equilibria between κ 2 P,N- and κ 3 P,N,P-bound PNP pincer ligands

Holzhacker, Christian, Stöger, Berthold, Carvalho, Maria Deus, Ferreira, Liliana P., Pittenauer, Ernst, Allmaier, Günter, Veiros, Luis F., Realista, Sara, Gil, Adrià, Calhorda, Maria José, Müller, Dan

Journal:

Dalton Transactions

Year:

2015

Language:

english

File:

PDF, 1.81 MB

english, 2015

73

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

74

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

75

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

76

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

77

Syntheses and photophysical properties of new iminopyrrolyl boron complexes and their application in efficient single-layer non-doped OLEDs prepared by spin coating

Suresh, D., Gomes, Clara S. B., Gomes, Pedro T., Di Paolo, Roberto E., Maçanita, António L., Calhorda, Maria José, Charas, Ana, Morgado, Jorge, Teresa Duarte, M.

Journal:

Dalton Transactions

Year:

2012

Language:

english

File:

PDF, 572 KB

english, 2012

78

Structural preferences and isomerism in nickel(II) and copper(II) complexes with 3-hydroxypicolinic acid

Boris-Marko Kukovec, Pedro D.Vaz, Maria José Calhorda, Zora Popović

Journal:

Year:

2012

Language:

english

File:

PDF, 1.13 MB

english, 2012

79

Structural and Theoretical Analysis of M−H- - -H−M and M−H- - -H−C Intermolecular Interactions

Braga, Dario, De Leonardis, Piero, Grepioni, Fabrizia, Tedesco, Emilio, Calhorda, Maria José

Journal:

Inorganic Chemistry

Year:

1998

Language:

english

File:

PDF, 239 KB

english, 1998

80

New Mo(II) complexes in MCM-41 and silica: Synthesis and catalysis

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

Journal:

Journal of Organometallic Chemistry

Year:

2014

Language:

english

File:

PDF, 1.63 MB

english, 2014

81

Four- and five-coordinate high-spin iron(II) complexes bearing bidentate soft/hard SN ligands based on 2-aminopyridine

Holzhacker, Christian, Calhorda, Maria José, Gil, Adrià, Carvalho, Maria Deus, Ferreira, Liliana P., Mereiter, Kurt, Stöger, Berthold, Pittenauer, Ernst, Allmaier, Günter, Kirchner, Karl

Journal:

Year:

2014

Language:

english

File:

PDF, 1.01 MB

english, 2014

82

PGSE NMR Diffusion, Overhauser, and DFT Studies on the Salts [Pd(η 3 -CH 3 CHCHCHPh)(dppe)](anion)

Schott, Daniele, Pregosin, Paul S., Veiros, Luis F., Calhorda, Maria José

Journal:

Organometallics

Year:

2005

Language:

english

File:

PDF, 208 KB

english, 2005

83

Successful oxidation of Ph2P(CH2)nPPh2 (n = 2, 4, 6) by tellurium leading to Ph2P(Te)(CH2)nP(Te)Ph2

Jeremias, Lukáš, Babiak, Michal, Kubát, Václav, Calhorda, Maria José, Trávníček, Zdeněk, Novosad, Josef

Journal:

Year:

2014

Language:

english

File:

PDF, 388 KB

english, 2014

84

Electrochemical behaviour, IR spectroelectrochemistry and theoretical studies of tetracobalt carbonyl cluster complexes with a facial cyclooctatetraene ligand

Fiedler, Jan, Nervi, Carlo, Osella, Domenico, Calhorda, Maria José, Godinho, Sofia S. M. C., Merkel, Rüdiger, Wadepohl, Hubert

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

2002

Language:

english

File:

PDF, 252 KB

english, 2002

85

Preference for sulfoxide S- or O-bonding to 3d transition metals – DFT insights

Cardoso, Bernardo de P., Royo, Beatriz, Calhorda, Maria José

Journal:

Journal of Organometallic Chemistry

Year:

2015

Language:

english

File:

PDF, 5.06 MB

english, 2015

86

Violet-blue emitting 2-(N-alkylimino)pyrrolyl organoboranes: Synthesis, structure and luminescent properties

Krishnamoorthy, Paramasivam, Ferreira, Bruno, Gomes, Clara S.B., Vila-Viçosa, Diogo, Charas, Ana, Morgado, Jorge, Calhorda, Maria José, Maçanita, António L., Gomes, Pedro T.

Journal:

Dyes and Pigments

Year:

2016

Language:

english

File:

PDF, 2.46 MB

english, 2016

87

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

88

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

89

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

90

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

91

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

92

Synthesis, Structural Characterization, and Theoretical Studies of Gold(I) and Gold(I)−Gold(III) Thiolate Complexes: Quenching of Gold(I) Thiolate Luminescence

Bardají, Manuel, Calhorda, Maria José, Costa, Paulo J., Jones, Peter G., Laguna, Antonio, Reyes Pérez, M., Villacampa, M. D.

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 260 KB

english, 2006

93

Soluble Redox-Active Polymetallic Chains [{Ru 0 (CO)(L)(bpy)} m ] n (bpy = 2,2′-bipyridine, L = PrCN, Cl − ; m = 0, −1): Electrosynthesis and Characterization

Hartl, František, Renfrew, Anna K., Lafolet, Frédéric, Mahabiersing, Taasje, Calhorda, Maria José, Chardon-Noblat, Sylvie, Haukka, Matti, Deronzier, Alain

Journal:

Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 2.23 MB

english, 2009

94

Fe(III) salEen derived Schiff base complexes as potential contrast agents

Cardoso, Bernardo de P., Vicente, Ana I., Ward, Joseph B.J., Sebastião, Pedro J., Chávez, Fabián Vaca, Barroso, Sónia, Carvalho, Alexandra, Keely, Stephen J., Martinho, Paulo N., Calhorda, Maria José

Journal:

Inorganica Chimica Acta

Year:

2015

Language:

english

File:

PDF, 1.62 MB

english, 2015

95

Dynamic spin interchange in a tridentate Fe( iii ) Schiff-base compound

Vicente, Ana I., Joseph, Abhinav, Ferreira, Liliana P., de Deus Carvalho, Maria, Rodrigues, Vítor H. N., Duttine, Mathieu, Diogo, Hermínio P., Minas da Piedade, Manuel E., Calhorda, Maria José, Martin

Journal:

Chemical Science

Year:

2016

Language:

english

File:

PDF, 1.83 MB

english, 2016

96

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

97

Benzene and heterocyclic rings formation in cycloaddition reactions catalyzed by RuCp derivatives: DFT studies

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

Journal:

Inorganica Chimica Acta

Year:

2011

Language:

english

File:

PDF, 1.32 MB

english, 2011

98

Ring Slippage vs Charge Transfer in the Reductive Chemistry of [IndMo(CO) 2 (α-diimine)] + Cations

Pereira, Cláudia C. L., Costa, Paulo J., Calhorda, Maria José, Freire, Cristina, Rodrigues, Sandra S., Herdtweck, Eberhardt, Romão, Carlos C.

Journal:

Organometallics

Year:

2006

Language:

english

File:

PDF, 444 KB

english, 2006

99

Metal-metal interactions, a pairing distortion, and S-lined channels in the M2Ta9S6 structure

Calhorda, Maria Jose, Hoffmann, Roald

Journal:

Inorganic Chemistry

Year:

1988

Language:

english

File:

PDF, 844 KB

english, 1988

100

Six-coordinate high-spin iron(ii) complexes with bidentate PN ligands based on 2-aminopyridine – new Fe(ii) spin crossover systems

Holzhacker, Christian, Calhorda, Maria José, Gil, Adrià, Carvalho, Maria Deus, Ferreira, Liliana P., Stöger, Berthold, Mereiter, Kurt, Weil, Matthias, Müller, Danny, Weinberger, Peter, Pittenauer, Ern

Journal:

Dalton Transactions

Year:

2014

Language:

english

File:

PDF, 3.33 MB

english, 2014

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