.
Aim: To create a simple risk-scale
calculator for patients with ACS.
Methods: In the retrospective
nematic cell were
calculated. The achieved values of the normalized reflection coefficients range within
of DNVMs
calculated using this or that interatomic potential with that
calculated using the more accurate
KHAZHIEV, S.Y.,
KHUSAINOV, M.A.,
KUZNETSOV, V.V.,
KHALIKOV, R.A.,
KATAEV, V.A.,
TYUMKINA, T.V.,
MESHCHERYAKOVA, E.S.,
KHALILOV, L.M. (2020) by DFT quantum chemical
calculations using PBE/3ξ and (in some cases) RI-MP2/λ2 approximations