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Calculation the thermodynamic parameters of some imidazolidin-2,5-diones by using DFT method | ||
| Journal of Chemical Reactivity and Synthesis | ||
| دوره 12، شماره 2، شهریور 2022، صفحه 82-90 اصل مقاله (783.69 K) | ||
| نوع مقاله: Research Article | ||
| نویسندگان | ||
| Farideh Khatib1؛ Asadollah Farhadi* 2 | ||
| 1Science and Research Branch Khuzestan University, Ahvaz, Iran | ||
| 2Faculty of Science, University of Petroleum Technology Ahwaz, 61981-44471, Ahwaz Iran | ||
| چکیده | ||
| The aim of present studies is to focus on the structural optimization and thermodynamic properties of some 4-aryl-imidazolidin-2,5-diones (IMs) by using density functional theory (DFT). The collected data showed that the substitution on the aryl ring can be effective on the thermodynamic properties. | ||
| کلیدواژهها | ||
| Imidazolidin-2,5-dione؛ Thermodynamic؛ Density Functional Theory؛ Substitution | ||
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آمار تعداد مشاهده مقاله: 45 تعداد دریافت فایل اصل مقاله: 175 |
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