Química Física y Química Inorgánica
Departament
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Universidad de Oviedo
Oviedo, EspañaPublicacions en col·laboració amb investigadors/es de Universidad de Oviedo (202)
2024
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Structure and Spectroscopic Insights for CH3PCO Isomers: A High-Level Quantum Chemical Study
Journal of Physical Chemistry A, Vol. 128, Núm. 20, pp. 4083-4091
2019
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Molybdenum and rhenium carbonyl complexes containing thiolato ligands
Journal of Organometallic Chemistry, Vol. 896, pp. 113-119
2016
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Polyphosphazenes for the Stille reaction: A new type of recyclable stannyl reagent
Dalton Transactions, Vol. 45, Núm. 5, pp. 2227-2236
2014
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Halogen-abstraction reactions from chloromethane and bromomethane molecules by alkaline-earth monocations
Physical Chemistry Chemical Physics, Vol. 16, Núm. 30, pp. 16121-16136
2013
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Kinetics studies of the reactions of main fourth-period monocations (Ga+, Ge+, As+, and Se+) with methyl fluoride
Journal of Physical Chemistry A, Vol. 117, Núm. 33, pp. 7742-7753
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Reactivity of first-row transition metal monocations (Sc+, Ti+, V+, Zn+) with methyl fluoride: A computational study
Journal of Physical Chemistry A, Vol. 117, Núm. 14, pp. 2932-2943
2011
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Ab initio benchmark calculations on Ca(II) complexes and assessment of density functional theory methodologies
Journal of Physical Chemistry A, Vol. 115, Núm. 41, pp. 11331-11343
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Synthesis and decarbonylation reactions of the triiron phosphinidene complex [Fe3Cp3(μ-H)(μ3-PPh)(CO) 4]: Easy cleavage and formation of P-H and Fe-Fe bonds
Inorganic Chemistry, Vol. 50, Núm. 21, pp. 10937-10948
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Theoretical study of the C-F bond activation in methyl fluoride by alkaline-earth metal monocations
Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 609-618
2010
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1,3,5-Tris(thiocyanatomethyl)mesitylene as a Ligand. Pseudooctahedral molybdenum, manganese, and rhenium carbonyl complexes and copper and silver dimers. Copper-catalyzed carbene- and nitrene-transfer reactions
Inorganic Chemistry, Vol. 49, Núm. 15, pp. 6974-6985
2009
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Ar-BIAN Copper(I) complexes as catalysts in carbene and nitrene transfer reactions
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
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Gas-phase reaction between calcium monocation and fluoromethane: Analysis of the potential energy hypersurface and kinetics calculations
Journal of Chemical Physics, Vol. 131, Núm. 14
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Metal complexes with two different hydrogen-bond donor ligands as anion hosts
Chemical Communications, pp. 3279-3281
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Polyisocyanides of titanium
Journal of Physical Chemistry A, Vol. 113, Núm. 8, pp. 1574-1577
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Synthesis of new copper(i) complexes with tris(2-pyridyl) ligands. Applications to carbene and nitrene transfer reactions
Journal of the Chemical Society. Dalton Transactions, pp. 375-382
2008
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A new route for the synthesis of an alkylideneamido complex
New Journal of Chemistry, Vol. 32, Núm. 6, pp. 917-919
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Activation of two C-H bonds of NHC N-methyl groups on triosmium and triruthenium carbonyl clusters
Dalton Transactions, pp. 1937-1942
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From an N-methyl N-heterocyclic carbene to carbyne and carbide ligands via multiple C-H and C-N bond activations
Angewandte Chemie - International Edition, Vol. 47, Núm. 10, pp. 1920-1922
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Monoligand Zn(II) complexes: Ab initio benchmark calculations and comparison with density functional theory methodologies
Journal of Chemical Theory and Computation, Vol. 4, Núm. 2, pp. 243-256
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Reactivity of N-heterocyclic carbenes with [Ru3(CO) 12] and [Os3(CO)12]. Influence of ligand volume and electronic effects
Organometallics, Vol. 27, Núm. 2, pp. 211-217