about
Biological and chemical studies on aryl hydrocarbon receptor induction by the p53 inhibitor pifithrin-α and its condensation product pifithrin-β.Revisiting sulfur H-bonds in proteins: The example of peroxiredoxin AhpE.Topology switching in [32]heptaphyrins controlled by solvent, protonation, and meso substituents.Conformational control in [22]- and [24]pentaphyrins(1.1.1.1.1) by meso substituents and their N-fusion reaction.A universal scale of aromaticity for pi-organic compounds.Chemical applications of neural networks: aromaticity of pyrimidine derivatives.Understanding the molecular switching properties of octaphyrins.Viability of Möbius topologies in [26]- and [28]hexaphyrins.A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).Conductance Switching in Expanded Porphyrins through Aromaticity and Topology Changes.New electron delocalization tools to describe the aromaticity in porphyrinoids.Understanding conductivity in molecular switches: a real space approach in octaphyrins.Metalated Hexaphyrins: From Understanding to Rational Design.Different Products of the Reduction of (N),C,N-Chelated Antimony(III) Compounds: Competitive Formation of Monomeric Stibinidenes versus 1H-2,1-Benzazastiboles.Spontaneous Double Hydrometallation Induced by N→M Coordination in Organometallic Hydrides of Group 14 ElementsFrom Dibismuthenes to Three- and Two-Coordinated Bismuthinidenes by Fine Ligand Tuning: Evidence for Aromatic BiC3N Rings through a Combined Experimental and Theoretical StudySynthesis and structural characterization of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)Reactivity of bis(organoamino)phosphanes with magnesium(II) compoundsHydrosilylation induced by N→Si intramolecular coordination: spontaneous transformation of organosilanes into 1-aza-silole-type molecules in the absence of a catalystExploring the structure-aromaticity relationship in Hückel and Möbius N-fused pentaphyrins using DFTStibinidene and Bismuthinidene as Two-Electron Donors for Transition Metals (Co and Mn)Understanding the fundamental role of π/π, σ/σ, and σ/π dispersion interactions in shaping carbon-based materialsAromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of PorphyrinoidsRationalising Supramolecular Hydrogelation of Bis-Urea-Based Gelators through a Multiscale ApproachRationalising Supramolecular Hydrogelation of Bis-Urea-Based Gelators through a Multiscale ApproachSwitching between Hückel and Möbius aromaticity: a density functional theory and information-theoretic approach studyPerformance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-SystemsA computational study on the role of noncovalent interactions in the stability of polymer/graphene nanocompositesTowards the Design of Optically Active Thiophene S-Oxides using Quantum ChemistryAlkene Transfer Hydrogenation with Alkaline-Earth Metal CatalystsSimple Alkaline-Earth Metal Catalysts for Effective Alkene HydrogenationA Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of CyclohexanonesGlobal and local aromaticity of acenes from the information-theoretic approach in density functional reactivity theoryImplementing the mechanical force into the conceptual DFT framework: understanding and predicting molecular mechanochemical propertiesAmbident Nucleophilic Substitution: Understanding Non-HSAB Behavior through Activation Strain and Conceptual DFT Analyses
P50
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P50
description
researcher ORCID ID = 0000-0002-7076-2305
@en
name
Mercedes Alonso
@ast
Mercedes Alonso
@en
Mercedes Alonso
@es
Mercedes Alonso
@nl
type
label
Mercedes Alonso
@ast
Mercedes Alonso
@en
Mercedes Alonso
@es
Mercedes Alonso
@nl
prefLabel
Mercedes Alonso
@ast
Mercedes Alonso
@en
Mercedes Alonso
@es
Mercedes Alonso
@nl
P31
P496
0000-0002-7076-2305