Publicaciones en colaboración con investigadores/as de Academy of Sciences of Moldova (35)

2019

  1. 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

  2. Spin Switching in Molecular Quantum Cellular Automata Based on Mixed-Valence Tetrameric Units

    Journal of Physical Chemistry C, Vol. 120, Núm. 30, pp. 16994-17005

2015

  1. Electric field control of spin-dependent dissipative electron transfer dynamics in mixed-valence molecules

    Journal of Physical Chemistry C, Vol. 119, Núm. 14, pp. 7911-7921

  2. Mixed-valence molecular four-dot unit for quantum cellular automata: Vibronic self-trapping and cell-cell response

    Journal of Chemical Physics, Vol. 143, Núm. 13

2014

  1. An updated version of the computational package SIMPRE that uses the standard conventions for Stevens crystal field parameters

    Journal of Computational Chemistry, Vol. 35, Núm. 26, pp. 1930-1934

  2. Electric field control of the optical properties in magnetic mixed-valence molecules

    Chemical Science, Vol. 5, Núm. 9, pp. 3598-3602

  3. Symmetry assisted consideration of the dynamic pseudo Jahn-Teller problem in mixed-valence species with square topology: Intervalence optical bands

    Optics and Spectroscopy (English translation of Optika i Spektroskopiya), Vol. 116, Núm. 5, pp. 802-809

2013

  1. Dissipative electron transfer dynamics in mixed valence dimers: Microscopic approach to the solid state problem

    Journal of Chemical Physics, Vol. 139, Núm. 4

  2. Electronic and vibronic problems of nanosized mixed valence clusters: Advances and challenges

    Journal of Physics: Conference Series

  3. Modeling the magnetic properties and Mössbauer spectra of multifunctional magnetic materials obtained by insertion of a spin-crossover Fe(III) complex into bimetallic oxalate-based ferromagnets

    Inorganic Chemistry, Vol. 52, Núm. 23, pp. 13536-13545

  4. SIMPRE: A software package to calculate crystal field parameters, energy levels, and magnetic properties on mononuclear lanthanoid complexes based on charge distributions

    Journal of Computational Chemistry, Vol. 34, Núm. 22, pp. 1961-1967

2012

  1. A Symmetry Adapted Approach to the Dynamic Jahn-Teller Problem

    Progress in Theoretical Chemistry and Physics (Springer Nature), pp. 39-57

  2. A symmetry adapted approach to the dynamic Jahn-Teller problem: Application to mixed-valence polyoxometalate clusters with keggin structure

    International Journal of Quantum Chemistry, Vol. 112, Núm. 17, pp. 2957-2964