Open AccessMETHODS OF QUANTUM-CHEMICAL CALCULATION OF INHIBITOR DESCRIPTORS
Author(s) -
Vladimir Matofonov,
Elena Kovalyuk
Publication year - 2021
Publication title -
sovremennye tehnologii i naučno-tehničeskij progress
Language(s) - English
Resource type - Journals
ISSN - 2686-9896
DOI - 10.36629/2686-9896-2021-1-1-54-55
Subject(s) - quantum chemical , quantum , computer science , statistical physics , computational chemistry , mathematics , biological system , theoretical physics , quantum mechanics , chemistry , physics , molecule , biology
Methods of quantum-chemical calculation, comparison of their advantages and dis advantages, optimal objects for calculation are considered.