QUANTUM-CHEMICAL CALCULATIONS IN THE DETERMINATION OF MOLYBDENUM WITH IMMOBILIZED PHENYL FLUORONE

Bobojonov, Bunyod B., Rakhimov, Samariddin B., Eshemvetov, Alisher G., Smanova, Zulayho A.

Товарлар кимёси ва халқ табобати · 2022-yil

Annotatsiya

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.

Maqola ma’lumotlari
MualliflarBobojonov, Bunyod B., Rakhimov, Samariddin B., Eshemvetov, Alisher G., Smanova, Zulayho A.
JurnalТоварлар кимёси ва халқ табобати
Nashr sanasi2022-10-04
Jild1
Son4
Betlar21-35
TilO‘zbek
DOI10.55475/jcgtm/vol1.iss4.2022.80

Kalit so‘zlar

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

Ilmiy soha

Товарлар кимёси ва халқ табобати jurnalidan boshqa maqolalar

Товарлар кимёси ва халқ табобати — barcha maqolalar