All Stories

  1. Theoretical Prediction for Synthetic Realization: Pyramidal Systems ClE[E′4R4] (E = B–Ga, E′ = C–Ge, R = SiMe3, SiMetBu2): A DFT Study
  2. Molecular dynamics study of a new metastable allotropic crystalline form of gallium—supertetrahedral gallium
  3. Synthesis and Photo- and Ionochromic and Spectral-Luminescent Properties of 5-Phenylpyrazolidin-3-one Azomethine Imines
  4. Computational insight into magnetic behavior and properties of the transition metal complexes with redox-active ligands: a DFT approach
  5. Light-controlled spin-state-switching rearrangements of transition metal complexes with photochromic ligands
  6. Valence tautomeric dinuclear adducts of Co(ii) diketonates with redox-active diquinones for the design of spin qubits: computational modeling
  7. Theoretical modeling of valence tautomeric dinuclear cobalt complexes. Adducts of CoIIdiketonates with cyclic redox-active tetraone ligands