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“Fizika va texnologik ta’lim” jurnali | Журнал “Физико-технологического
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“Fizika va texnologik ta’lim” jurnali | Журнал “Физико-технологического
образование” | “Journal of Physics and Technology Education” 2021, № 4 (Online)
Journal of Physics and Technology Education | https//phys-tech.jspi.uz/
126
Shunday qilib, noempirik hisoblashlarning asosiy maqsadi molekula tuzilishi
va energiyasini bashorat qilishdan iboratdir. Hisoblash usulini tanlash
quyidagilarni aniqlashga qaratilgan bo’ladi: teng og‗irlikdagi geometrik tuzilish,
to’liq elektron energiya, potensial sirtdagi lokal minimumga to’g’ri keluvchi
garmonik chastotalar to’plami.
Chumoli kislotasi molekulalari orasidagi molekulalararo o‘zaro
ta‘sirlarni o‘rganish maqsadida noempirik hisoblashlar o‘tkazildi. Kvanto-
kimyoviy hisoblashlar Gaussian-09 dasturida Xartri-Fok yaqinlashishda 6-31G
(d,p) bazislar to`plamida amalga oshirildi hamda hisoblash natijalari shuni
ko‘rsatadiki, haqiqatdan ham chumoli kislotasi tarkibida monomer, dimer va
boshqa agregatlar mavjudligi aniqlandi.
Kvanto-kimyoviy hisoblashlar ko‘rsatdiki, ikkita chumoli kislotasi
molekulasi molekulalararo vodorod bog‘lanish hosil qilishi natijasida yopiq
strukturali dimer hosil bo‘lar ekan. Dimer hosil bo‘lish energiyasi 13,2 kkal/molni
tashkil etar ekan.
FOYDALANILGAN ADABIYOTLAR
1. Gaussian 09, Revision A.02. M. J. Frisch, et.al., Gaussian, Inc., Wallingford
CT, 2009.
2. Dirak P., Prinsipi kvantovoy mexaniki,per.s angl., M, 1960;
3. Feynman R. P., Xibs A., Kvantovaya mexanika i integrali po trayektoriyam,
per. s angl., M., 1968;
4. Landau L. D., Lifshits Ye. M., Kvantovaya mexanika. Nerelyativistskaya
teoriya, 3 izd., M., 1974;
5. Fok V. A., Nachalo kvantovoy mexaniki, M., 1976.
6. Irmatov F. Advantages of teaching physics on the credit system. European
Journal of Research and Reflection in Educational Sciences Vol, 7(12). -
Great Britain. –Р. 60-64.
7. Taylanov, N. A., & Élmurodv, A. (2003). Nonlinear Dynamics of the
Evolution
of
Thermomagnetic
Perturbations
in
Composite
Superconductors. Technical Physics, 48(11).
8. Bekmirzaev, R. N., Sultanov, M. U., Holbutaev, S. H., Jonzakov, A. A., &
Turakulov, B. T. (2020). Multiplicity outputting of hadrons in cc-
interactions at the momentum 4.2 a gev/c with different collision
centralities. ACADEMICIA: An International Multidisciplinary Research
Journal, 10(10), 900-907.
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