Товарлар кимёси ва халқ табобати 1-tom 4-san (2022) · 21-35-betler
QUANTUM-CHEMICAL CALCULATIONS IN THE DETERMINATION OF MOLYBDENUM WITH IMMOBILIZED PHENYL FLUORONE
Bobojonov, Bunyod B., Rakhimov, Samariddin B., Eshemvetov, Alisher G., Smanova, Zulayho A.
Annotaciya
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.
Ионы молибденафенилфлуоронквантово-химические методыметод B3LYP/def2-ТZVPпрограмма ОRCAGaussianMolybdenum ionsphenylfluoronequantum chemical methodsB3LYP/def2-TZVP method
Metadata derekkózi: jurnal OAI-PMH arxivi · Sindex tolıq mátindi saqlamaydı, derekkózge silteme beredi.