about
DFT mechanistic study on diene metathesis catalyzed by Ru-based Grubbs-Hoveyda-type carbenes: the key role of pi-electron density delocalization in the Hoveyda ligand.Shutting down secondary reaction pathways: the essential role of the pyrrolyl ligand in improving silica supported d(0)-ML4 alkene metathesis catalysts from DFT calculations.DFT study on the recovery of Hoveyda-grubbs-type catalyst precursors in enyne and diene ring-closing metathesis.Mechanistic Insights into Alkane Metathesis Catalyzed by Silica-Supported Tantalum Hydrides: A DFT Study.Hydrazine N-N Bond Cleavage over Silica-Supported Tantalum-Hydrides.Disaggregation-induced fluorescence enhancement of NIAD-4 for the optical imaging of amyloid-β fibrils.DFT study on the reaction mechanism of the ring closing enyne metathesis (RCEYM) catalyzed by molybdenum alkylidene complexes.Binding of Thioflavin T and Related Probes to Polymorphic Models of Amyloid-β Fibrils.Enhanced photocatalytic activity of gold nanoparticles driven by supramolecular host-guest chemistry.Computational study on donor-acceptor optical markers for Alzheimer's disease: a game of charge transfer and electron delocalization.Visible-Light Photocatalytic Intramolecular Cyclopropane Ring Expansion.Understanding d0-Olefin Metathesis Catalysts: Which Metal, Which Ligands?DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic propertiesd0Re-Based Olefin Metathesis Catalysts, Re(⋮CR)(CHR)(X)(Y): The Key Role of X and Y Ligands for Efficient Active SitesMechanistic Insights into Ring-Closing Enyne Metathesis with the Second-Generation Grubbs-Hoveyda Catalyst: A DFT StudyHydrogen Bond vs Proton Transfer in HZSM5 Zeolite. A Theoretical StudyO–O Bond activation in H2O2 and (CH3)3C-OOH mediated by [Ni(cyclam)(CH3CN)2](ClO4)2: Different mechanisms to form the same Ni(iii) product?Coordination of NO(2) to Cu and Mg in M(NO(2))(2) Complexes. A Theoretical StudyAdsorption of NH(3) and H(2)O in acidic chabazite. Comparison of ONIOM approach with periodic calculationsElectron hole formation in acidic zeolite catalystsA DFT periodic study on the interaction between O2 and cation exchanged chabazite MCHA (M = H+, Na+ or Cu+): effects in the triplet-singlet energy gapOrganocatalytic vs. Ru-based electrochemical hydrogenation of nitrobenzene in competition with the hydrogen evolution reaction
P50
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P50
description
researcher
@en
name
Xavier Solans-Monfort
@en
Xavier Solans-Monfort
@nl
type
label
Xavier Solans-Monfort
@en
Xavier Solans-Monfort
@nl
prefLabel
Xavier Solans-Monfort
@en
Xavier Solans-Monfort
@nl
P108
P106
P31
P496
0000-0002-2172-3895