MARIA DE LOS ANGELES
PEÑA GALLEGO
TITULAR DE UNIVERSIDADE - TEMPO COMPLETO
Publicacións (68) Publicacións de MARIA DE LOS ANGELES PEÑA GALLEGO
2024
-
Development of robust chiroptical systems through spirobifluorenes
Chirality, Vol. 36, Núm. 1
-
Foreword to the special issue on the “Electronic structure: principles and applications (ESPA 2022)” conference
Theoretical Chemistry Accounts
2023
-
A computational study of two promising tweezers
Theoretical Chemistry Accounts, Vol. 142, Núm. 10
-
A density functional theory study on aurantinidin
Theoretical Chemistry Accounts, Vol. 142, Núm. 8
-
Common Reactivity and Properties of Heme Peroxidases: A DFT Study of Their Origin
Antioxidants, Vol. 12, Núm. 2
2022
-
A Tetracyanobutadiene Spirobifluorene: Synthesis, Enantiomeric Resolution and Chiroptical Properties
European Journal of Organic Chemistry, Vol. 2022, Núm. 16
-
ON/OFF Spiroconjugation through Peripheral Functionalization: Impact on the Reactivity and Chiroptical Properties of Spirobifluorenes
ChemPlusChem, Vol. 87, Núm. 6
-
Optical and electrochemical properties of spirobifluorene iridanaphthalene complexes
Dalton Transactions, Vol. 52, Núm. 2, pp. 487-493
2021
-
Chemoselectivity on the synthesis of iridacycles: A theoretical and experimental study
Inorganica Chimica Acta, Vol. 517
-
Key factors in the synthesis of polycyclic iridaaromatics: Via the methoxyalkenylcarbene pathway
Dalton Transactions, Vol. 50, Núm. 32, pp. 11216-11220
-
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
-
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
-
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 Technologies (July 6th-7th, 2020, Online)
-
Clar Goblet and Aromaticity Driven Multiradical Nanographenes
Chemistry - A European Journal, Vol. 26, Núm. 68, pp. 16138-16143
-
Design and synthesis of chiral spirobifluorenes
Chirality, Vol. 32, Núm. 4, pp. 464-473
-
Detecting Molecular Plasmons by Means of Electron Density Descriptors
Journal of Physical Chemistry C, Vol. 124, Núm. 2, pp. 1585-1593
-
Distinct Helical Molecular Orbitals through Conformational Lock**
Chemistry - A European Journal, Vol. 26, Núm. 72, pp. 17342-17349
-
Unimolecular Electrical Rectification Understood through Electron Deformation Orbitals
Journal of Physical Chemistry C, Vol. 124, Núm. 33, pp. 17924-17931
-
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 Technologies (July 6th-7th, 2020, Online)
2019
-
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