SIANUR KISLOTA ARALASH LIGANDLI MIS(II) KOMPLEKSINING ELEKTRON TUZILISHINI DFT METODI YORDAMIDA O`RGANISH
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Аннотация
Ushbu ishda sianur kislota va tiosemikarbazid asosidagi mis(II)
kompleksining elektron tuzilishi kvant-kimyoviy hisoblashning DFT metodi yordamida o`rganilib, kompleks birikmadagi YuBMO va QBMO larning energetik qiymatlarini tahlili natijalari keltirilgan.
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Библиографические ссылки
Rappoport D., Furche F. Property-optimized Gaussian basis sets for molecular response calculations //The Journal of chemical physics. – 2010. – Т. 133. – №. 13. – С. 134105.
Scuseria G. E. Linear scaling density functional calculations with Gaussian orbitals //The Journal of Physical Chemistry A. – 1999. – Т. 103. – №. 25. – С. 4782-4790.
Prabhaharan M. et al. Experimental and theoretical spectroscopic analysis, HOMO–LUMO, and NBO studies of cyanuric chloride //Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. – 2014. – Т. 127. – С. 454-462.