Publicaciones en colaboración con investigadores/as de Russian Academy of Sciences (22)

2022

  1. Vibronic recovering of functionality of quantum cellular automata based on bi-dimeric square cells with violated condition of strong Coulomb repulsion

    The Journal of chemical physics, Vol. 157, Núm. 7, pp. 074308

2021

  1. Insight Into The Spin-Vibronic Problem of a Mixed Valence Magnetic Molecular Cell for Quantum Cellular Automata

    ChemPhysChem, Vol. 22, Núm. 17, pp. 1754-1768

  2. Toward multifunctional molecular cells for quantum cellular automata: exploitation of interconnected charge and spin degrees of freedom

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 26, pp. 14511-14528

2020

  1. Can the double exchange cause antiferromagnetic spin alignment?

    Magnetochemistry, Vol. 6, Núm. 3, pp. 1-11

  2. Exploration of the double exchange in quantum cellular automata: Proposal for a new class of cells

    Chemical Communications, Vol. 56, Núm. 73, pp. 10682-10685

  3. Mixed-valence magnetic molecular cell for quantum cellular automata: Prospects of designing multifunctional devices through exploration of double exchange

    Journal of Physical Chemistry C, Vol. 124, Núm. 46, pp. 25602-25614

  4. Modelling the properties of magnetic clusters with complex structures: how symmetry can help us

    International Reviews in Physical Chemistry, Vol. 39, Núm. 2, pp. 217-265

2019

  1. Electric Field Control of Spin States in Trigonal Two-Electron Quantum Dot Arrays and Mixed-Valence Molecules: I. Electronic Problem

    Journal of Physical Chemistry C, Vol. 123, Núm. 4, pp. 2451-2459

  2. Electric Field Control of Spin States in Trigonal Two-Electron Quantum Dot Arrays and Mixed-Valence Molecules: II. Vibronic Problem

    Journal of Physical Chemistry C, Vol. 123, Núm. 4, pp. 2460-2473

  3. Purely Spectroscopic Determination of the Spin Hamiltonian Parameters in High-Spin Six-Coordinated Cobalt(II) Complexes with Large Zero-Field Splitting

    Inorganic Chemistry, Vol. 58, Núm. 24, pp. 16434-16444

  4. VIBRONIC MODEL FOR INTERCOMMUNICATION OF LOCALIZED SPINS VIA ITINERANT ELECTRON IN COMPLEX MIXED-VALENCE MOLECULES

    OPTIMIZATION OF THE COMPOSITION, STRUCTURE AND PROPERTIES OF METALS, OXIDES, COMPOSITES, NANO AND AMORPHOUS MATERIALS

  5. VIBRONIC MODEL FOR LINEAR MIXED VALENCE TRIFERROCENIUM COMPLEX: ELECTRIC FIELD CONTROL OF SUPEREXCHANGE

    OPTIMIZATION OF THE COMPOSITION, STRUCTURE AND PROPERTIES OF METALS, OXIDES, COMPOSITES, NANO AND AMORPHOUS MATERIALS

  6. Vibronic Model for Intercommunication of Localized Spins via Itinerant Electron

    Journal of Physical Chemistry C, Vol. 123, Núm. 9, pp. 5746-5760

2018

  1. Electrically switchable magnetic exchange in the vibronic model of linear mixed valence triferrocenium complex

    Dalton Transactions, Vol. 47, Núm. 34, pp. 11788-11805

  2. Quantum cellular automata: A short overview of molecular problem

    Acta Physica Polonica A

  3. VIBPACK: A package to treat multidimensional electron-vibrational molecular problems with application to magnetic and optical properties

    Journal of Computational Chemistry, Vol. 39, Núm. 22, pp. 1815-1827

2017

  1. Electric Field Generation and Control of Bipartite Quantum Entanglement between Electronic Spins in Mixed Valence Polyoxovanadate [GeV14O40]8-

    Inorganic Chemistry, Vol. 56, Núm. 16, pp. 9547-9554

  2. Electric field controllable magnetic coupling of localized spins mediated by itinerant electrons: A toy model

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 38, pp. 26098-26106

  3. Jahn-Teller effect in molecular electronics: Quantum cellular automata

    Journal of Physics: Conference Series

2016

  1. Mixed-Valence Molecular Unit for Quantum Cellular Automata: Beyond the Born-Oppenheimer Paradigm through the Symmetry-Assisted Vibronic Approach

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 8, pp. 3545-3560