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Relevant bibliographies by topics / Zichlik funksional nazariyasi (DFT)

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Journal articles

Academic literature on the topic 'Zichlik funksional nazariyasi (DFT)'

Author: Grafiati

Published: 2 June 2025

Last updated: 31 July 2025

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Journal articles on the topic "Zichlik funksional nazariyasi (DFT)"

1

Jumaniyozova, Darmonjon Ro'zmetovna, and Umida Polvonovna Asatova. "Ge1-x Snx YARIMO'TKAZGICHLI QATTIQ QORISHMA ZONA TUZILISHIN XUSUSIYATLARINI O'RGANISH." Multidisciplinary Journal of Science and Technology 5, no. 5 (2025): 785–94. https://doi.org/10.5281/zenodo.15464206.

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Ushbu maqolada Ge₁₋ₓSnₓ yarimo‘tkazgichli qattiq qorishmasining zona tuzilishi xususiyatlari zichlik funksional nazariyasi (DFT) va k·p modeli yordamida o‘rganildi. Ge va Sn atomlari nisbati o‘zgarishi bilan qorishmaning elektron tuzilishi, energiya zonalari, taqiqlangan zona kengligi va panjara doimiysi tahlil qilindi. Hisoblashlar Quantum ESPRESSO dasturida amalga oshirilib, Ge₀.₉₇Sn₀.₀₃ qotishmasi uchun taqiqlangan zona kengligi 0,58 eV ga kamaygani aniqlandi. Sn konsentrasiyasining oshishi bilan taqiqlangan zona torayishi va panjara doimiysining ortishi kuzatildi.

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2

Amonov, Akhtam, та Madina Muxiddinova. "(𝐂𝐇𝟑)𝟐𝐂𝐎···HF DIMERNING (HF) VALENT TEBRANISH POLOSASI SHAKLLANISH MEXANIZMLARINI IQ SPEKTROSKOPIYA VA KVANTO-KIMYOVIY HISOBLASHLAR YORDAMIDA O'RGANISH". Educational Research in Universal Sciences 4, № 4 (2025): 149–53. https://doi.org/10.5281/zenodo.15052973.

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<em>Ushbu tadqiqotda (CH₃)₂CO</em><em>⋅⋅⋅</em><em>HF dimerining </em><em>ν</em><em>(HF) valent tebranish polosasini infraqizil (IQ) spektroskopiya va kvanto-kimyoviy hisoblashlar asosida o‘rganish natijalari taqdim etilgan. Tadqiqot davomida Fur’e infraqizil spektrometriyasi yordamida yuqori aniqlikdagi (0.05 cm⁻¹ gacha) yutilish spektrlari olingan. Dimerning valent tebranish polosalari, ayniqsa, 3800-3200 cm⁻¹ chastota sohasida murakkab assimetrik shaklga ega ekani aniqlandi. Nazariy tadqiqotlar doirasida zichlik funksiyasi nazariyasi (DFT) yondashuvi v

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3

Ganiyev, Baxtiyor Shukurulloyevich, Abror Yangiyevich Akramov, Gulyayra Qo'ldoshevna Xoliqova, and Zarina Rustam qizi Jumayeva. "ALANIN AMINOKISLOTASINING DFT HISOBLASHLARI, PASS ANALIZI VA MOLEKULYAR DOKINGI." Educational Research in Universal Sciences 3, no. 7 (2024): 65–74. https://doi.org/10.5281/zenodo.12922517.

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<em>Maqolada alanin aminokislotasining kimyoviy xossalari va kvant-kimyoviy hisoblashlarini o‘rganishga bag‘ishlangan adabiyotlar tahlil etilib, natijalar o‘rtasidagi bog‘liqlik o`rganiladi. Gaussian dasturida alaninning geometriyasini to‘liq optimallashtirish bilan elektron tuzilishini hisoblash DFT - funktsional zichlik nazariyasi usulida B3LYP/6-31**G va B3LYP/6-311++G(d,p) hamda M062X/6-311++G** valent bo‘lingan asosli to‘plamlar doirasida amalga oshirildi. Shuningdek, alanin molekulasining biologik faolligi – PASS analizi va molekulyar dokin

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4

Ganiyev, Baxtiyor Shukurulloyevich, Zulfiya Kobilovna Qodirova, Gulyayra Qo'ldoshevna Xoliqova, and Zarina Rustam qizi Jumayeva. "GLITSIN AMINOKISLOTASINING KVANT-KIMYOVIY HISOBLASHLARI." Educational Research in Universal Sciences 3, no. 7 (2024): 51–64. https://doi.org/10.5281/zenodo.12754112.

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<em>Maqolada glitsin aminokislotasining kimyoviy xossalari va kvant-kimyoviy hisoblashlarini </em><em>o‘</em><em>rganishga ba</em><em>g‘</em><em>ishlangan adabiyotlar tahlil etilib, natijalar </em><em>o‘</em><em>rtasidagi bo</em><em>g‘</em><em>liqlik </em><em>o‘</em><em>rganiladi. ORCА va Gaussian dasturlarida glitsinning geometriyasini toʼliq optimallashtirish bilan elektron tuzilishini hisoblash DFT - funktsional zichlik nazariyasi usulida B3LYP/6-311G(d,p) va M062X/6-311++G** hamda B3LYP/6-31++G valent boʼlingan asosli toʼplamlar doirasida amalga oshirildi. Shu

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5

M Ismatov, D., X. A r z i m u r o d o v a, A. N Muxamadiyev, N. Q Muxamadiyev, and J. R Uzoqov. "KVERSETIN FLAVONOIDINING Fe(II) IONLARI BILAN HOSIL QILGAN KOMPLEKS BIRIKMASINI KVANT KIMYOVIY BAHOLASH." 2022-yil, 3-son (133/1) ANIQ FANLAR SERIYASI 1, no. 131/2 (2022): 1–8. http://dx.doi.org/10.59251/2181-1296.v1.1312.114.

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Kversetin va Fe(II) kationlaridan hosil bo‗lgan gibrid metall/kversetin xelatini hosil bo‗lish mexanizmi, barqarorlik konstantasi, molekulada zaryad zichligining taqsimoti, faollanish energiyasi kabi fizik parametrlari zichlikning funksional nazariyasi DFT (density functional theory) yordamida baholandi. Unga ko‗ra Fe(II) kationi va flovonoid kversetindan hosil bo‗lgan kompleksning barqarorlik konstantasi logβ =4,56; kompleksning dipol momenti D=6,125 ga ega. Kveretstin-Fe (II) kompleks tarkibidagi 4C=O hamda 3-OH bo‗yicha hosil bo‗lgan bog‗larning energiyasi 78,912 kkal/mol, 3‘-OH va 4‘-OH uc

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