MODELIZACIÓN DE REACTIVIDAD QUÍMICA
MRQ
Universidad de Extremadura
Badajoz, EspañaPublicaciones en colaboración con investigadores/as de Universidad de Extremadura (10)
2024
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Elucidation of the Pyridine Ring-Opening Mechanism of 2,2′-Bipyridine or 1,10-Phenanthroline Ligands at Re(I) Carbonyl Complexes
Inorganic Chemistry, Vol. 63, Núm. 19, pp. 8593-8603
2020
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Addition of Re-Bonded Nucleophilic Ligands to Activated Alkynes: A Theoretical Rationalization
European Journal of Inorganic Chemistry, Vol. 2020, Núm. 3, pp. 269-280
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Influence of the nucleophilic ligand on the reactivity of carbonyl rhenium(I) complexes towards methyl propiolate: A computational chemistry perspective
Molecules, Vol. 25, Núm. 18
2017
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Insights on the Reactivity of Terminal Phosphanido Metal Complexes toward Activated Alkynes from Theoretical Computations
Inorganic Chemistry, Vol. 56, Núm. 11, pp. 6652-6661
2016
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Activation of Aromatic C−C Bonds of 2,2’-Bipyridine Ligands
Chemistry - A European Journal, Vol. 22, Núm. 48, pp. 17160-17164
2015
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Influence of the N-N Coligand: C-C coupling instead of formation of imidazol-2-yl complexes at {Mo(η3-allyl)(CO)2} fragments. theoretical and experimental studies
Inorganic Chemistry, Vol. 54, Núm. 6, pp. 2580-2590
2011
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Imidazole to NHC rearrangements at molybdenum centers: An experimental and theoretical study
Chemistry - A European Journal, Vol. 17, Núm. 31, pp. 8584-8595
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Two different hydrogen bond donor ligands together: A selectivity improvement in organometallic {Re(CO) 3} anion hosts
Inorganic Chemistry, Vol. 50, Núm. 17, pp. 8524-8531
2010
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Effect of the nature of the substituent in N-alkylimidazole ligands on the outcome of deprotonation: Ring opening versus the formation of N-heterocyclic carbene complexes
Chemistry - A European Journal, Vol. 16, Núm. 28, pp. 8495-8507
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From bis(N-Alkylimidazole) to bis(NH-NHC) in rhenium carbonyl complexes
Angewandte Chemie - International Edition, Vol. 49, Núm. 36, pp. 6409-6412