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101

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

102

Heteropolynuclear Gold Complexes with Metallophilic Interactions: Modulation of the Luminescent Properties

Calhorda, Maria José, Ceamanos, Carmen, Crespo, Olga, Gimeno, M. Concepción, Laguna, Antonio, Larraz, Carmen, Vaz, Pedro D., Villacampa, M. Dolores

Journal:

Inorganic Chemistry

Year:

2010

Language:

english

File:

PDF, 2.95 MB

english, 2010

103

Energetics of metal-sulfur bonds in the complexes M(.eta.5-C5H5)2(SC2H5)2 (M = Ti, W) and W(.eta.5-C5H5)2(SC6H5)2. Molecular structure of Ti(.eta.5-C5H5)2(SC2H5)2

Calhorda, Maria J., Carrondo, Maria A. A. F. de C. T., Dias, Alberto R., Frazao, Carlos F., Hursthouse, Michael B., Simoes, Jose A. Martinho, Teixeira, Clementina

Journal:

Inorganic Chemistry

Year:

1988

Language:

english

File:

PDF, 772 KB

english, 1988

104

MoO 2 Cl 2 as a Novel Catalyst for C−P Bond Formation and for Hydrophosphonylation of Aldehydes

de Noronha, Rita G., Costa, Paulo Jorge, Romão, Carlos C., Calhorda, Maria José, Fernandes, Ana C.

Journal:

Organometallics

Year:

2009

Language:

english

File:

PDF, 1.73 MB

english, 2009

105

Electronic Structure of Ytterbium Bis-indenyl and -cyclopentadienyl α-Diimine Complexes: A DFT and MS-CASPT2 Investigation

Bandeira, Nuno A. G., Daniel, Chantal, Trifonov, Alexander, Calhorda, Maria José

Journal:

Organometallics

Year:

2012

Language:

english

File:

PDF, 3.41 MB

english, 2012

106

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

107

Solvent-Dependent Formation of Os(0) Complexes by Electrochemical Reduction of [Os(CO)(2,2′-bipyridine)(L)Cl 2 ]; L = Cl – , PrCN

Tory, Joanne, King, Lisa, Maroulis, Antonios, Haukka, Matti, Calhorda, Maria José, Hartl, František

Journal:

Inorganic Chemistry

Year:

2014

Language:

english

File:

PDF, 1.64 MB

english, 2014

108

Molybdenum η 3 -Allyl Dicarbonyl Complexes as a New Class of Precursors for Highly Reactive Epoxidation Catalysts with tert -Butyl Hydroperoxide

Alonso, João C., Neves, Patrícia, Pires da Silva, Maria João, Quintal, Susana, Vaz, Pedro D., Silva, Carlos, Valente, Anabela A., Ferreira, Paula, Calhorda, Maria José, Félix, Vitor, Drew, Michael G.

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 213 KB

english, 2007

109

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

110

Mo(II) complexes of 8-aminoquinoline and their immobilization in MCM-41

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

Journal:

Applied Catalysis A: General

Year:

2013

Language:

english

File:

PDF, 1.29 MB

english, 2013

111

One-Electron Oxidation of ReCp(CO) 2 L (L = PPh 3 , η 2 -2-Butene, η-Diphenylacetylene): Electrochemical, Spectroscopic, and Computational Studies of the Electronic Properties and Dimerization Tendencies of 17-Electron Rhenium Complexes

Chong, Daesung, Teixeira, Vitor H., Calhorda, Maria José, Geiger, William E.

Journal:

Organometallics

Year:

2014

Language:

english

File:

PDF, 2.50 MB

english, 2014

112

Striking Differences between the Solution and Solid-State Reactivity of Iron PNP Pincer Complexes with Carbon Monoxide

Benito-Garagorri, David, Alves, Luis Gonçalo, Puchberger, Michael, Mereiter, Kurt, Veiros, Luis F., Calhorda, Maria José, Carvalho, Maria Deus, Ferreira, Liliana P., Godinho, Margarida, Kirchner, Ka

Journal:

Organometallics

Year:

2009

Language:

english

File:

PDF, 2.72 MB

english, 2009

113

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

114

Influence of activated carbons porous structure on iopamidol adsorption

Mestre, Ana S., Machuqueiro, Miguel, Silva, Mariline, Freire, Ruben, Fonseca, Isabel M., Santos, M. Soledade C.S., Calhorda, Maria José, Carvalho, Ana P.

Journal:

Year:

2014

Language:

english

File:

PDF, 739 KB

english, 2014

115

Tris(organotin)tungstogermanate, a Sandwich Organometallic Derivative of a Keggin-Type Polyoxometalate: Synthesis and DFT Study

Liu, Huizhang, Bandeira, Nuno A. G., Félix, Vitor, Calhorda, Maria José

Journal:

European Journal of Inorganic Chemistry

Year:

2013

Language:

english

File:

PDF, 737 KB

english, 2013

116

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

117

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

Scaccianoce, Laura, Braga, Dario, Calhorda, Maria José, Grepioni, Fabrizia, Johnson, Brian F. G.

Journal:

Organometallics

Year:

2000

Language:

english

File:

PDF, 172 KB

english, 2000

118

Cationic Half-Sandwich Iron(II) and Iron(III) Complexes with N-Heterocyclic Carbene Ligands

Cardoso, João M. S., Fernandes, Ana, Cardoso, Bernardo de P., Carvalho, Maria Deus, Ferreira, Liliana P., Calhorda, Maria José, Royo, Beatriz

Journal:

Organometallics

Year:

2014

Language:

english

File:

PDF, 1.51 MB

english, 2014

119

Molecular Structures of M 2 (CO) 9 and M 3 (CO) 12 (M = Fe, Ru, Os): New Theoretical Insights

Hunstock, Elke, Mealli, Carlo, Calhorda, Maria José, Reinhold, Joachim

Journal:

Inorganic Chemistry

Year:

1999

Language:

english

File:

PDF, 117 KB

english, 1999

120

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

121

Syntheses, X-ray Structures, Photochemistry, Redox Properties, and DFT Calculations of Interconvertible f ac - and m er -[Mn(SPS)(CO) 3 ] Isomers Containing a Flexible SPS-Based Pincer Ligand †

Doux, Marjolaine, Mézailles, Nicolas, Ricard, Louis, Le Floch, Pascal, Vaz, Pedro D., Calhorda, Maria José, Mahabiersing, Taasje, Hartl, František

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 317 KB

english, 2005

122

Intramolecular and Intermolecular Bonding in Ru3(CO)12, Ru3(CO)9(.mu.3:.eta.2:.eta.2:.eta.2-C6H6), and Ru3(CO)6(.mu.-CO)3(.mu.3-S3C3H6)

Braga, Dario, Grepioni, Fabrizia, Calhorda, Maria Jose, Veiros, Luis F.

Journal:

Organometallics

Year:

1995

Language:

english

File:

PDF, 948 KB

english, 1995

123

Electrochemical Oxidation of CoCp(CO) 2 : Radical−Substrate Reaction of a 17 e - /18 e - Pair and Production of a Unique Dimer Radical

Nafady, Ayman, Costa, Paulo Jorge, Calhorda, Maria José, Geiger, William E.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 426 KB

english, 2006

124

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

125

CNN Pincer Ruthenium Catalysts for Hydrogenation and Transfer Hydrogenation of Ketones: Experimental and Computational Studies

Baratta, Walter, Baldino, Salvatore, Calhorda, Maria José, Costa, Paulo J., Esposito, Gennaro, Herdtweck, Eberhardt, Magnolia, Santo, Mealli, Carlo, Messaoudi, Abdelatif, Mason, Sax A., Veiros, Luis F

Journal:

Chemistry - A European Journal

Year:

2014

Language:

english

File:

PDF, 885 KB

english, 2014

126

Studies on the transferability of transition-metal-carbon and -hydrogen bond enthalpies in bis(cyclopentadienyl) complexes

Calhorda, Maria J., Dias, Alberto R., Minas da Piedade, Manuel E., Salema, Margarida S., Simoes, Jose A. Martinho.

Journal:

Organometallics

Year:

1987

Language:

english

File:

PDF, 747 KB

english, 1987

127

A New Look at the Ylidic Bond in Phosphorus Ylides and Related Compounds: Energy Decomposition Analysis Combined with a Domain-Averaged Fermi Hole Analysis

Calhorda, Maria José, Krapp, Andreas, Frenking, Gernot

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 390 KB

english, 2007

128

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

129

Molecular Structure, Dynamics, and Crystal Organization of [(.mu.-Cl)3{(.eta.6-arene)Ru}2][BF4] (Arene = C6H6 and C6H5Me) and a Bonding Study by Extended-Hueckel Calculations

Grepioni, Fabrizia, Braga, Dario, Dyson, Paul J., Johnson, Brian F. G., Sanderson, Fiona M., Calhorda, Maria Jose, Veiros, Luis F.

Journal:

Organometallics

Year:

1995

Language:

english

File:

PDF, 2.01 MB

english, 1995

130

Disappearing and Concomitant Polymorphism of Nickel(II) Complexes with 6-Hydroxypicolinic Acid. Structural and Density Functional Theory Studies

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

Journal:

Crystal Growth & Design

Year:

2010

Language:

english

File:

PDF, 3.99 MB

english, 2010

131

Weak η 2 -Olefin Bonding in Palladium and Platinum Allyl Cationic Complexes Containing Chiral Monodentate Ligands with α-Phenyl Methyl Amine Side Chains

Filipuzzi, Serena, Pregosin, Paul S., Calhorda, Maria José, Costa, Paulo J.

Journal:

Organometallics

Year:

2008

Language:

english

File:

PDF, 569 KB

english, 2008

132

X-ray, 13 C NMR, and DFT Studies on a Ruthenium(IV) Allyl Complex. Explanation for the Observed Control of Regioselectivity in Allylic Alkylation Chemistry

Hermatschweiler, René, Fernández, Ignacio, Pregosin, Paul S., Watson, Eric J., Albinati, Alberto, Rizzato, Silvia, Veiros, Luis F., Calhorda, Maria José

Journal:

Organometallics

Year:

2005

Language:

english

File:

PDF, 191 KB

english, 2005

133

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

134

Unprecedented η3-M3 coordination mode in a terpyridine ligand

Aguado, Javier E., Calhorda, Maria José, Gimeno, M. Concepción, Laguna, Antonio

Journal:

Chemical Communications

Year:

2005

Language:

english

File:

PDF, 267 KB

english, 2005

135

Origin of Enantioselectivity in Palladium-Catalyzed Asymmetric Allylic Alkylation Reactions Using Aminophosphine Ligands

Widhalm, Michael, Nettekoven, Ulrike, Kalchhauser, Hermann, Mereiter, Kurt, Calhorda, Maria José, Félix, Vítor

Journal:

Organometallics

Year:

2002

Language:

english

File:

PDF, 215 KB

english, 2002

136

Kinetic Studies on the Oxidation of η 5 -Cyclopentadienyl Methyl Tricarbonyl Molybdenum(II) and the Use of Its Oxidation Products as Olefin Epoxidation Catalysts

Al-Ajlouni, Ahmad M., Veljanovski, Draganco, Capapé, Alejandro, Zhao, Jin, Herdtweck, Eberhardt, Calhorda, Maria José, Kühn, Fritz E.

Journal:

Organometallics

Year:

2009

Language:

english

File:

PDF, 181 KB

english, 2009

137

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

138

Gold(I)−Gold(III) Interactions in Polynuclear Sulfur-Centered Complexes. Synthesis and Structural Characterization of [S(Au 2 dppf){Au(C 6 F 5 ) 3 }] and [{S(Au 2 dppf)} 2 {Au(C 6 F 5 ) 2 }]OTf (dppf = 1,1‘-Bis(diphenylphosphino)ferrocene)

Calhorda, Maria José, Canales, Fernando, Gimeno, M. Concepción, Jiménez, Josefina, Jones, Peter G., Laguna, Antonio, Veiros, Luis F.

Journal:

Organometallics

Year:

1997

Language:

english

File:

PDF, 204 KB

english, 1997

139

Some problems in the oxidative addition and binding of ethylene to a transition-metal center

Silvestre, Jerome., Calhorda, Maria Jose., Hoffmann, Roald., Stoutland, Page O., Bergman, Robert G.

Journal:

Organometallics

Year:

1986

Language:

english

File:

PDF, 1.22 MB

english, 1986

140

Bi- and Trimetallic σ-Acetylide Complexes Connected through a Phenyl Ring in the Fe(Cp*)(dppe) Series

Weyland, Tania, Lapinte, Claude, Frapper, Gilles, Calhorda, Maria José, Halet, Jean-François, Toupet, Loic

Journal:

Organometallics

Year:

1997

Language:

english

File:

PDF, 278 KB

english, 1997

141

Addition of aldehydes to tantalum-carbene complexes and the reduction of epoxides by unsaturated tantalum complexes. Theoretical study of the reaction mechanism and product structures

Schioett, Birgit, Joergensen, Karl Anker, Calhorda, Maria Jose, Galvao, Adelino M.

Journal:

Organometallics

Year:

1992

Language:

english

File:

PDF, 1.02 MB

english, 1992

142

Synthesis, Structure, Luminescence, and Theoretical Studies of Tetranuclear Gold Clusters with Phosphinocarborane Ligands

Calhorda, M. José, Crespo, Olga, Gimeno, M. Concepción, Jones, Peter G., Laguna, Antonio, López-de-Luzuriaga, José M., Perez, Juán L., Ramón, Miguel A., Veiros, Luís F.

Journal:

Inorganic Chemistry

Year:

2000

Language:

english

File:

PDF, 83 KB

english, 2000

143

Multiple Bonds between Main-Group Elements and Transition Metals. 123. Re-C Bond Homolysis in Alkyl- and Arylrhenium Trioxides: A Qualitative MO Interpretation

Mealli, Carlo, Lopez, Jose A., Calhorda, Maria J., Romao, Carlos C., Herrmann, Wolfgang A.

Journal:

Inorganic Chemistry

Year:

1994

Language:

english

File:

PDF, 642 KB

english, 1994

144

Highly Efficient Reduction of Sulfoxides with the System Borane/Oxo-rhenium Complexes †

Fernandes, Ana C., Fernandes, José A., Romão, Carlos C., Veiros, Luis F., Calhorda, Maria José

Journal:

Organometallics

Year:

2010

Language:

english

File:

PDF, 3.02 MB

english, 2010

145

Energetics of transition-metal-sulfur and -oxygen bonds in M(.eta.5-C5H5)2L2 complexes (M = Ti, Mo, W). Molecular structure of Mo(.eta.5-C5H5)2(SO4)

Calhorda, Maria J., Carrondo, Maria A. A. F. de C. T., Dias, Alberto R., Domingos, Angela M. T. S., Simoes, Jose A. Martinho., Teixeira, Clementina.

Journal:

Organometallics

Year:

1986

Language:

english

File:

PDF, 1.03 MB

english, 1986

146

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

147

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

148

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

149

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

150

Synthesis and Molecular Structure of Tetraruthenium Cluster Isomers with Different Electron Counts

Braga, Dario, Grepioni, Fabrizia, Brown, David B., Johnson, Brian F. G., Calhorda, Maria José

Journal:

Organometallics

Year:

1996

Language:

english

File:

PDF, 232 KB

english, 1996