Vladimir Shapovalov

Часть публикаций из профиля, по году от новых к старым. Это не полный список последних работ автора; работы без года — в конце.

• DIGITAL TWIN MODELLING OF THE BLOOD–BRAIN BARRIER TO EVALUATE ANTIDOTE EFFICACY IN NEUROTOXICANT POISONING: CNS PENETRATION OF ACETYLCHOLINESTERASE REACTIVATORS UNDER DYNAMIC BARRIER PERMEABILITY2026
• Structure and Mechanical Properties of Thick Vacuum TiC Condensates Obtained by Electron Beam Evaporation2025
• The efficiency of using chips for melting and deoxidizing ShKh15 steel in an induction furnace2025
• New method for improving physical homogeneity of steel ingots2025
• Evolution of liquid-phase methods for growing molybdenum single crystals2025
• DFT+U Investigation of Propene Oxidation over Bismuth Molybdate: Active Sites, Reaction Intermediates, and the Role of Bismuth2013
• Calibration of the DFT/GGA+U Method for Determination of Reduction Energies for Transition and Rare Earth Metal Oxides of Ti, V, Mo, and Ce2011 · аннотациясвернуть

  GGA+U calculation were performed for oxides of Ti, V, Mo, and Ce with the objective of establishing the best value of the parameter Ueff to use in order to match the calculated reduction and oxidation energies of each…

• CO Oxidation by Rutile TiO2(110) Doped with V, W, Cr, Mo, and Mn2008 · аннотациясвернуть

  We used density functional theory to study CO oxidation catalyzed by TiO 2 (110), in which some Ti atoms on the surface are replaced with V, Cr, Mo, W, or Mn. We find that in the presence of O, V, Cr, Mo, and W dopants…