ORTO-KSILOLNING ATOMLARI ZARYAD QIYMATLARI VA AYRIM ENERGETIK PARAMETRLARINI HYPER CHEM DASTURIDA O’RGANISH VA CHEM OFFICE DASTURI BILAN TAQQOSLASH
Keywords:
Orto-ksilol, Hyperchem dasturi, zaryad taqsimoti, hosil bo’lish issiqligi, IQ, ChemOffice, yarimempirik, empirik.Abstract
Ushbu izlanishda Hyperchem dasturida orto-ksilolning empirik usulda hosil bo’lish issiqligi, yarimempirik usulda hosil bo’lish issiqlik energiyalari, bog’ uzunliklari, atomlarning zaryad qiymatini, IQ spektrlari, HOMO-LUMO (2D va 3D holati) o’rganish natijalari keltirildi.
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