Publicacións (68) Publicacións de MARIA DE LOS ANGELES PEÑA GALLEGO

2024

  1. Development of robust chiroptical systems through spirobifluorenes

    Chirality, Vol. 36, Núm. 1

  2. Foreword to the special issue on the “Electronic structure: principles and applications (ESPA 2022)” conference

    Theoretical Chemistry Accounts

2023

  1. A computational study of two promising tweezers

    Theoretical Chemistry Accounts, Vol. 142, Núm. 10

  2. A density functional theory study on aurantinidin

    Theoretical Chemistry Accounts, Vol. 142, Núm. 8

  3. Common Reactivity and Properties of Heme Peroxidases: A DFT Study of Their Origin

    Antioxidants, Vol. 12, Núm. 2

2022

  1. A Tetracyanobutadiene Spirobifluorene: Synthesis, Enantiomeric Resolution and Chiroptical Properties

    European Journal of Organic Chemistry, Vol. 2022, Núm. 16

  2. ON/OFF Spiroconjugation through Peripheral Functionalization: Impact on the Reactivity and Chiroptical Properties of Spirobifluorenes

    ChemPlusChem, Vol. 87, Núm. 6

  3. Optical and electrochemical properties of spirobifluorene iridanaphthalene complexes

    Dalton Transactions, Vol. 52, Núm. 2, pp. 487-493

2021

  1. Chemoselectivity on the synthesis of iridacycles: A theoretical and experimental study

    Inorganica Chimica Acta, Vol. 517

  2. Key factors in the synthesis of polycyclic iridaaromatics: Via the methoxyalkenylcarbene pathway

    Dalton Transactions, Vol. 50, Núm. 32, pp. 11216-11220

  3. The effect of spin polarization on the electron transport of molecular wires with diradical character

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 8, pp. 4777-4783

  4. Tracking the Transition from Pericyclic to Pseudopericyclic Reaction Mechanisms Using Multicenter Electron Delocalization Analysis: The [1,3] Sigmatropic Rearrangement

    Journal of Physical Chemistry A, Vol. 125, Núm. 37, pp. 8337-8344

2020

  1. A visual thinking, evidence-based, kinetic laboratory experiment: Determining the rate law for the bleaching of crystal violet dye by hydroxide ions

    EDULEARN20 Proceedings: 12th International Conference on Education and New Learning TechnologiesOnline Conference. 6-7 July, 2020. (IATED Academy), pp. 3017-3021

  2. Clar Goblet and Aromaticity Driven Multiradical Nanographenes

    Chemistry - A European Journal, Vol. 26, Núm. 68, pp. 16138-16143

  3. Design and synthesis of chiral spirobifluorenes

    Chirality, Vol. 32, Núm. 4, pp. 464-473

  4. Detecting Molecular Plasmons by Means of Electron Density Descriptors

    Journal of Physical Chemistry C, Vol. 124, Núm. 2, pp. 1585-1593

  5. Distinct Helical Molecular Orbitals through Conformational Lock**

    Chemistry - A European Journal, Vol. 26, Núm. 72, pp. 17342-17349

  6. Unimolecular Electrical Rectification Understood through Electron Deformation Orbitals

    Journal of Physical Chemistry C, Vol. 124, Núm. 33, pp. 17924-17931

  7. Using “flipped classroom“ strategies to teach undergraduate courses of quantum chemistry. Application to a modified hückel method including a partial overlap

    EDULEARN20 Proceedings: 12th International Conference on Education and New Learning TechnologiesOnline Conference. 6-7 July, 2020. (IATED Academy), pp. 2987-2992

2019

  1. Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation

    Nano Letters, Vol. 19, Núm. 10, pp. 7394-7399