Publicaciones en las que colabora con LAURA ESTEVEZ GUIANCE (20)

2023

  1. Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor

    CrystEngComm, Vol. 25, Núm. 16, pp. 2463-2472

2021

  1. Assessing citric acid-derived luminescent probes for pH and ammonia sensing: A comprehensive experimental and theoretical study

    Analytica Chimica Acta, Vol. 1186

  2. First Characterization of the Formation of Anthocyanin-Ge and Anthocyanin-B Complexes through UV-Vis Spectroscopy and Density Functional Theory Quantum Chemical Calculations

    Journal of Agricultural and Food Chemistry, Vol. 69, Núm. 4, pp. 1272-1282

2019

  1. Complexation of common metal cations by cyanins: Binding affinity and molecular structure

    International Journal of Quantum Chemistry, Vol. 119, Núm. 6

2015

  1. Computational studies on conformation, electron density distributions, and antioxidant properties of anthocyanidins

    Methods in Molecular Biology, Vol. 1208, pp. 257-276

2014

  1. Understanding the electron density reorganization upon stacking vs. H-bonding interaction in methyl gallate-caffeine complexes

    RSC Advances, Vol. 4, Núm. 48, pp. 25018-25027

2012

  1. An electron-density-based study on the ionic reactivity of 1,3-azoles

    European Journal of Organic Chemistry, pp. 2403-2413

2011

  1. Electron density distributions of heterocycles: A shortcoming of the resonance model

    Quantum Frontiers of Atoms and Molecules (Nova Science Publishers, Inc.), pp. 343-366

  2. Influence of the solvent on the charge distribution of anomeric compounds

    Journal of Physical Chemistry A, Vol. 115, Núm. 10, pp. 1964-1970

  3. Molecular structure of cyanidin metal complexes: Al(III) versus Mg(II)

    Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 485-495

2010

  1. A computational study on the acidity dependence of radical-scavenging mechanisms of anthocyanidins

    Journal of Physical Chemistry B, Vol. 114, Núm. 29, pp. 9706-9712

  2. An Electron Density-Based Approach to the Origin of Stacking Interactions

    Quantum Biochemistry (Wiley-VCH), pp. 365-387

  3. Stereoselective synthesis of novel isonucleoside analogues of purine with a tetrahydropyran ring

    Synthesis, pp. 425-430

2009

  1. Computational study on the stacking interaction in catechol complexes

    Journal of Physical Chemistry A, Vol. 113, Núm. 41, pp. 11051-11058

  2. Conformational and substitution effects on the electron distribution in a series of anthocyanidins

    Journal of Physical Chemistry A, Vol. 113, Núm. 36, pp. 9908-9919

2008

  1. Molecular structure and antioxidant properties of delphinidin

    Journal of Physical Chemistry A, Vol. 112, Núm. 42, pp. 10614-10623

  2. Where is the positive charge of flavylium cations?

    Chemical Physics Letters, Vol. 451, Núm. 1-3, pp. 121-126

2007

  1. A density functional theory study on pelargonidin

    Journal of Physical Chemistry A, Vol. 111, Núm. 43, pp. 11100-11109

  2. Conformational study and electron density analysis of 9-[tetrahydropyran-3-yl]purine derivatives

    Tetrahedron, Vol. 63, Núm. 3, pp. 717-726

2005

  1. The furan approach to carbocyclic systems. Synthesis of cyclohexane derivatives from butenolides through an intramolecular Michael addition

    Tetrahedron Letters, Vol. 46, Núm. 35, pp. 5819-5822