Maria José Calhorda

Overview

Best Publications

• Weak hydrogen bonds: theoretical studies

  Maria José Calhorda

  386
  Citations

• Octahedral bipyridine and bipyrimidine dioxomolybdenum(VI) complexes: characterization, application in catalytic epoxidation, and density functional mechanistic study.

  Fritz E. Kühn;Michelle Groarke;Éva Bencze;Eberhardt Herdtweck

  296
  Citations

• Mechanism for the cyclotrimerization of alkynes and related reactions catalyzed by CpRuCl.

  Karl Kirchner;Maria José Calhorda;Roland Schmid;Luís F Veiros

  231
  Citations

• The nature of the indenyl effect

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

  182
  Citations

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

  Tania Weyland;Claude Lapinte;Gilles Frapper;Maria José Calhorda

  140
  Citations

• Eco-friendly non-biocide-release coatings for marine biofouling prevention.

  E.R. Silva;E.R. Silva;O. Ferreira;P.A. Ramalho;N.F. Azevedo

  132
  Citations

• Loading and delivery of sertraline using inorganic micro and mesoporous materials.

  Carla D. Nunes;Pedro D. Vaz;Ana C. Fernandes;Paula Ferreira

  129
  Citations

• Ring slippage in indenyl complexes: structure and bonding

  Maria José Calhorda;Luı́s F. Veiros

  125
  Citations

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

  Christophe Fliedel;Christophe Fliedel;Diogo Vila-Viçosa;Maria José Calhorda;Samuel Dagorne

  120
  Citations

• The carbon-carbon bond-forming step in catalytic cross-coupling: migration or elimination?

  Maria Jose Calhorda;John M. Brown;Neil A. Cooley

  111
  Citations

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

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

  104
  Citations

• Molybdenum η3-Allyl Dicarbonyl Complexes as a New Class of Precursors for Highly Reactive Epoxidation Catalysts with tert-Butyl Hydroperoxide

  João C. Alonso;Patrícia Neves;Maria João Pires da Silva;Susana Quintal

  98
  Citations

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

  Ana C. Fernandes;José A. Fernandes;Carlos C. Romão;Luis F. Veiros

  98
  Citations

• Heteropolynuclear gold complexes with metallophilic interactions: modulation of the luminescent properties.

  Maria José Calhorda;Carmen Ceamanos;Olga Crespo;M. Concepción Gimeno

  97
  Citations

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

  Luís F Veiros;Angela Prazeres;Paulo J Costa;Carlos C Romão

  95
  Citations

• 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

  89
  Citations

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

  Paulo Jorge Costa;Carlos C. Romão;Ana C. Fernandes;Beatriz Royo

  87
  Citations

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

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

  86
  Citations

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

  David Benito-Garagorri;Michael Puchberger;Kurt Mereiter

  86
  Citations

• 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

  83
  Citations

• Hydrogen activation by high-valent oxo-molybdenum(VI) and -rhenium(VII) and -(V) compounds

  Patrícia M. Reis;Paulo Jorge Costa;Carlos C. Romão;José A. Fernandes

  81
  Citations