16. Математическая и квантовая химия
QUANTUM-CHEMICAL STUDIES OF THE ELECTRONIC STRUCTURE AND REACTIVITY OF PYRROL IN ELECTROPHILIC SUBSTITUTION REACTIONS
01.03.2026
487
QUANTUM CHEMICAL ANALYSIS OF THE THERMODYNAMIC PARAMETERS OF LANTHANUM (III) COMPLEXES WITH NICOTINIC ACID OF VARIOUS STOICHIOMETRY
27.02.2026
444
DFT STUDY OF THE STRUCTURE AND ELECTRONIC PROPERTIES OF COMPLEXES OF SELECTED 3d METALS WITH 2-2-PHENYLMETHYL-1H-BENZIMIDAZOLE
24.02.2026
364
THE ROLE OF HYDROGEN BONDING IN THE FORMATION OF MOLECULAR CLUSTERS IN GLYCINE: RAMAN, IR SPECTRA AND DFT CALCULATIONS
24.09.2025
573
QUANTUM CHEMICAL STUDY OF THE ELECTRONIC STRUCTURE AND GEOMETRY OF THE THIENOPYRIMIDINONE MOLECULE
26.12.2023
732
QUANTUM-CHEMICAL CALCULATIONS OF THE MEE-1 MOLECULE
22.12.2023
1496
DETERMINATION OF OPTIMAL SYNTHESIS CONDITIONS BY MATHEMATICAL MODELING OF SYNTHESIS MEE-1
20.12.2023
720
QUANTUM-CHEMICAL SUBSTANTIATION OF N,N'-BIS (-CYANOISOPROPIL)TETRAMETYLENDIAMINE SYINTHESIS
30.12.2022
753
QUANTUM-CHEMICAL SUBSTANTIATION OF N,N'-BIS(-CYANOISOPROPIL)PROPYLENDIAMINE SYINTHESIS
05.11.2022
835
QUATIC CHEMICAL STUDY OF THE SYNESIS REACTION OF N,N'-BIS(α-CYANISOPROPIL)ETHYLENEDIAMINE
27.07.2022
842
QUANTUM-CHEMICAL STUDY OF GEOMETRY AND ELECTRONIC STRUCTURE OF N,N1-HEXAMETHYLENE BIS-[(DIBENZYLAMINO)UREA]
24.07.2022
856
QUANTUM-CHEMICAL CALCULATIONS OF THE CHARGES OF ORGANOSILICON COMPOUNDS AS A BASIS FOR THE STABILITY OF INTERMEDIATE AND TRANSITION STATES
30.04.2022
1002
QUANTUM-CHEMICAL STUDY OF THE ELECTRONIC STRUCTURE OF THE DRUG LETROZOL USED IN THE TREATMENT OF BREAST CANCER
25.03.2022
737
ELECTRONIC CONFIGURATION OF ATOMS AND CHEMICAL BOND IN THE LIGHT OF THE THEORY OF TRANSFORMATION OF ELECTRONIC ORBITALS
18.12.2021
4792