METHODS OF QUANTUM-CHEMICAL CALCULATION OF INHIBITOR DESCRIPTORS
Abstract and keywords
Abstract (English):
Methods of quantum-chemical calculation, comparison of their advantages and disadvantages, optimal objects for calculation are considered.

Keywords:
quantum chemistry, corrosion inhibitors, molecular structure, descriptors.
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References

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2. Klark T. Komp'yuternaya himiya: Prakticheskoe rukovodstvo po raschetam struktury i energii molekuly / T. Klark; Perevod s angl. A.A. Korkina; Pod red. V.S. Mastryukova, Yu.N. Panchenko. M.: Mir. 1990. 381 s.

3. Prakticheskie aspekty prikladnoy kvantovoy himii [Elektronnyy resurs] / Studmi. Uchebnye materialy dlya studentov: [sayt]. URL: https://studme.org/273105/matematika_himiya_fizik/prakticheskie_aspekty_prikladnoy_kvantovoy_himii

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