XROM (VI) IONINI IMMOBILLANGAN 1,8-DIOKSINAFTALIN-3,6-DISULFOKISLOTANING IKKI NATRIYLI TUZI BILAN ANIQLASHDA KVANT-KIMYO HISOBLAR
Abstract
Gaussian va ORCA dasturiy paketlarining kvant-kimyoviy usullari xrom (VI) ionlari uchun analitik reagent sifatida ishlatiladigan 1,8-dioksi-naftalin-3,6-disulfokislotaning ikki natriyli tuzi (DNDK) reagent molekulasining atom energiyasini hisoblash uchun qo‘llanildi. Ushbu reagent funksional faol va analitik faol guruhlarni o‘z ichiga oladi. O‘rganilayotgan birikmalarning geometriyalari optimallashtirilib, molekulyar orbitallarning elektron zichligi hamda molekulaning umumiy energiyasi hisoblab chiqildi.
Fields of Study & Subjects
Advanced Chemical Physics Studies
Nonlinear Optical Materials Research
Advanced Physical and Chemical Molecular Interactions
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 28 January 2026
- Language
- UZ