Simon Konstantin Vladimirovich

Publications in Math-Net.Ru

1. Proton reaction path in base pairs of DNA molecule according to the Complete Active Space Self-Consistent Field method
   
   Mat. Biolog. Bioinform., 18:1 (2023),  33–48
2. Identification of the reaction products of iron complexes by the vibrational spectrum using the example of iron hydroxocation [Fe(OH)$_{2}$(H$_{2}$O)$_{2}$]$^{+}$ in an aqueous medium
   
   Optics and Spectroscopy, 129:10 (2021),  1270–1275
3. The reaction path of product release in NO detoxification at the active site of truncated hemoglobin N in MCSCF approach
   
   Mat. Biolog. Bioinform., 15:2 (2020),  172–179
4. Electronic structure of the active site of truncated hemoglobin $\mathrm N$ in MCSCF approach
   
   Mat. Biolog. Bioinform., 6:1 (2011),  23–38