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SUBSTANTIATION OF ALKYLATION REACTIONS BY THE QUANTUM CHEMICAL METHOD

SUBSTANTIATION OF ALKYLATION REACTIONS BY THE QUANTUM CHEMICAL METHOD

Saida Islomova / Sohiba Mahammatova / Xurshida Noibjonova

73,27 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Química física
ISBN:
9786208425944
73,27 €
IVA incluido
Disponible

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Sobre IBD

Ferrocene and its derivatives are invaluable in the synthesis of substances used in various sectors of the national economy; novelty of scientific work in quantum chemical analysis of the mechanisms of p-ferrocenylphenol and ferrocenylbenzoic acid alkylation reactions. In addition, synthesis products have been studied using modern quantum chemical methods. Traditional and modern quantum chemical methods were used to study the practical significance of p-ferrocenylphenol and ferrocenylbenzoic acid alkylation reactions. Calculation of energy values of reagents and products was carried out in Gaussian 98W program at bases 3-21G and 6-31G of the DFT/B3LYP hybrid method.

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