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RESEARCH OF MOLECULAR-ENERGETIC PARAMETERS OF THE SYNTHESIS OF FERROCENE CARBONIC ACID DERIVATIVES BY QUANTUM-CHEMICAL CALCULATIONS

I.R. Asqarov (Andijan State University, Andijan, Uzbekistan) · N.Q. To‘Lakov (Andijan State University, Andijan, Uzbekistan) · Z.X. Abduraimov (Andijan State University, Andijan, Uzbekistan)

Международный журнал передовых научных исследований · 12-16 · 2023

Аннотация

In the article, the advantages of quantum-chemical calculations in the study of the relationship between the structure and properties of matter were presented. In order to energetically justify the structure of the product formed as a result of the reaction of ferrocenecarbonic acid with p-aminobenzoic acid, the structure of the optimized structures was studied in the Gaussian 98 program. Their Hartree energies were determined and analytical data were reported.

Доказательный фрагмент

«In the article, the advantages of quantum-chemical calculations in the study of the relationship between the structure and properties of matter were presented.»

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Демо-превью

In the article, the advantages of quantum-chemical calculations in the study of the relationship between the structure and properties of matter were presented. Полный текст публикации CiteX не хранит — доступ к первоисточнику открывается по DOI согласно лицензии издателя и выбранному плану.

DOI не указан
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Тип
Журнал
Страна
Узбекистан
Ключевые слова
Gaussian program, quantum chemistry, ferrocene
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