Quantum-chemical methods of the ORCA and Gaussian software packages were used to calculate the atomic energies of the phenylfluorone reagent molecule used as an analytical reagent for molybdenum ions. This reagent incorporates functionally active and analytically active groups. The geometries of the studied compounds are optimized and the electron densities of molecular orbitals and the total energy of the molecule are calculated.
| Mualliflar | Bobojonov, Bunyod B., Rakhimov, Samariddin B., Eshemvetov, Alisher G., Smanova, Zulayho A. |
|---|---|
| Jurnal | Товарлар кимёси ва халқ табобати |
| Nashr sanasi | 2022-10-04 |
| Jild | 1 |
| Son | 4 |
| Betlar | 21-35 |
| Til | O‘zbek |
| DOI | 10.55475/jcgtm/vol1.iss4.2022.80 |
DOI: 10.55475/jcgtm/vol1.iss4.2022.80 · Maqolaning asl sahifasi
Ионы молибдена, фенилфлуорон, квантово-химические методы, метод B3LYP/def2-ТZVP, программа ОRCA, Gaussian, Molybdenum ions, phenylfluorone, quantum chemical methods, B3LYP/def2-TZVP method, ORCA program, Gaussian, Molibden ionlari, fenifluoron, kvant kimyoviy usullari, B3LYP/def2-TZVP usuli, ORCA dasturi, Gaussian
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