INFRAQIZIL SPEKTROSKOPIYADA PYROGALLOLNING MOLEKULYAR TEBRANISH TAHLILI
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Ushbu maqolada, pirogallolning molekulyar tebranishlari infraqizil spektroskopiyada o'rganildi. Pirogallolning normal koordinata hisoblari tekislikdagi va tekislikdan tashqaridagi tebranishlar uchun umumiy valentlik kuchlari maydoni (UVKM) asosida Vilson FG matritsa mexanizmida amalga oshirildi. ORCA kvant-kimyoviy hisoblash dasturida hisoblashlar amalga oshirilgan. Ushbu tadqiqotda olingan potentsial energiya konstantalari nazariy hisob-kitoblar yordamida aniqlangan. Shuning uchun, bu qiymatlar amaldagi natijalardan bir oz farq qilishi mumkin
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