Structural, electronic and vibrational properties of L-asparagine

Holikulov, U.A.

O‘zbekiston fizika jurnali · 2023-yil

Annotatsiya

In this work, the structural, electronic, and vibrational properties of L-asparagine were studied using Raman spectroscopy and density functional theory (DFT) calculations. The molecular geometry of zwitterionic L-asparagine (ZWASN) was optimized based on the B3LYP/6-311++G(d,p) basis set. Intramolecular H-bonding in zwitterionic L-asparagine was analyzed using surfaces molecular electrostatic potential (MEP), quantum theory atoms in molecules (QTAIM), reduced density gradient (RDG), non-covalent interaction (NCI), and electron localized functions (ELF) methods. Mulliken atomic charge distribution, HOMO-LUMO energy gap, and other electronic properties were also calculated. Experimental Raman spectra were recorded and interpreted using PED techniques.

Maqola ma’lumotlari
MualliflarHolikulov, U.A.
JurnalO‘zbekiston fizika jurnali
NashriyotЎзбекистон Республикаси Фанлар академияси
ISSN1025-8817, 2181-077X
Nashr sanasi2023-04-03
Jild25
Son1
TilIngliz
Ilmiy sohaFizika-matematika
DOI10.52304/.v25i1.405
Indeksga qo‘shilgan2026-08-26

DOI: 10.52304/.v25i1.405 · Maqolaning asl sahifasi

Kalit so‘zlar

L-аспарагин, цвиттер-ион, водородная связь, спектроскопия КР, метод DFT, L-asparagine, zwitterion, hydrogen bond, Raman spectroscopy, DFT method

Ilmiy soha

Fizika-matematika

Iqtibos keltirish

APAHolikulov, U.A. (2023). Structural, electronic and vibrational properties of L-asparagine. O‘zbekiston fizika jurnali, 25(1). https://doi.org/10.52304/.v25i1.405
GOST (OAK)Holikulov, U.A. Structural, electronic and vibrational properties of L-asparagine // O‘zbekiston fizika jurnali. – 2023. – T. 25, № 1. – DOI: 10.52304/.v25i1.405.
MLAHolikulov, U.A. “Structural, electronic and vibrational properties of L-asparagine.” O‘zbekiston fizika jurnali, 25(1), 2023. https://doi.org/10.52304/.v25i1.405
ChicagoHolikulov, U.A. “Structural, electronic and vibrational properties of L-asparagine.” O‘zbekiston fizika jurnali, 25(1) (2023). https://doi.org/10.52304/.v25i1.405
HarvardHolikulov, U.A (2023) ‘Structural, electronic and vibrational properties of L-asparagine’, O‘zbekiston fizika jurnali, 25(1). https://doi.org/10.52304/.v25i1.405
BibTeX
@article{holikulovua2023,
  title = {Structural, electronic and vibrational properties of L-asparagine},
  author = {Holikulov, U.A.},
  journal = {O‘zbekiston fizika jurnali},
  year = {2023},
  volume = {25},
  number = {1},
  doi = {10.52304/.v25i1.405},
  url = {https://doi.org/10.52304/.v25i1.405}
}

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