List of works - M. Jesús Fernández-Trujillo

A DFT and TD-DFT approach to the understanding of statistical kinetics in substitution reactions of M3Q4 (M = Mo, W; Q = S, Se) cuboidal clusters.

scientific article published on 8 March 2012

Ag(I) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study

scientific article published on 01 December 2005

Catalytic effect of a second H3PO2 in the mechanism of stabilisation of the unstable pyramidal tautomer of H3PO2 coordinated at [Mo3S4M'] clusters (M' = Ni, Pd)

scientific article published on 15 May 2007

Chiral [Mo3S4H3(diphosphine)3]+ hydrido clusters and study of the effect of the metal atom on the kinetics of the acid-assisted substitution of the coordinated hydride: Mo vs W.

scientific article published in July 2010

Combined kinetic and DFT studies on the stabilization of the pyramidal form of H3PO2 at the heterometal site of [Mo3M'S4(H2O)10]4+ clusters (M' = Pd, Ni).

scientific article published on 21 January 2009

Crucial role of anions on the deprotonation of the cationic dihydrogen complex trans-[FeH(eta2-H2)(dppe)2]+

scientific article published on 28 April 2007

Dihydrogen complexes: striking effect of ion pairing to BF(4)(-) on the rotation of coordinated dihydrogen and the (19)F relaxation time

scientific article published on 22 June 2009

Kinetic and DFT studies on the mechanism of C-S bond formation by alkyne addition to the [Mo3S4(H2O)9]4+ cluster.

scientific article

Kinetic, DFT and TD-DFT studies on the mechanism of stabilization of pyramidal H3PO3 at the [Mo3M'S4(H2O)10]4+ clusters (M' = Pd, Ni)

scientific article published on 01 August 2011

Mechanism of [3+2] cycloaddition of alkynes to the [Mo3 S4 (acac)3 (py)3 ][PF6 ] cluster.

scientific article published on 21 December 2014

New Insights into the Mechanism of Proton Transfer to Hydride Complexes: Kinetic and Theoretical Evidence Showing the Existence of Competitive Pathways for Protonation of the Cluster [W3S4H3(dmpe)3]+ with Acids

scientific article published on 01 February 2006

Site specific ligand substitution in cubane-type Mo3FeS(4)(4+) clusters: kinetics and mechanism of reaction and isolation of mixed ligand Cl/SPh complexes.

scientific article published on 9 March 2010

Studies on the Reactivity of the [W3 S4 Br3 (edpp)3 ]+ [edpp = (2-aminoethyl)diphenylphosphine] Cluster Cation towards Bases: The Active Role of the Amino Group

Synthesis of the Novel [W3PdS4H3(dmpe)3(CO)]+Cubane Cluster and Kinetic Studies on the Substitution of Coordinated Hydrides in Acidic Media

scientific article published on 01 July 2006

Synthesis, reactivity, and kinetics of substitution in W3PdSe4 cuboidal clusters. A reexamination of the kinetics of substitution of the related W3S4 cluster with thiocyanate.

scientific article published in April 2009

The Effect of the “Inert” Counteranions in the Deprotonation of the Dihydrogen Complextrans-[FeH(η2-H2)(dppe)2]+: Kinetic and Theoretical Studies

scientific article published on 01 March 2004

The Structure of ([W3Q4X3(dmpe)3]+, Y-) Ion Pairs (Q = S, Se; X = H, OH, Br; Y = BF4, PF6, dmpe = Me2PCH2CH2PMe2) in Dichloromethane Solution and the Effect of Ion-Pairing on the Kinetics of Proton Transfer to the Hydride Cluster [W3S4H3(dmpe)3]+