Geometric Modelling and Analysis of the Amino Acid: Phenylalanine
Yükleniyor...
Dosyalar
Tarih
2023
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
International Journal of Advances in Scientific Research and Engineering
Erişim Hakkı
info:eu-repo/semantics/openAccess
Attribution-NonCommercial-NoDerivs 3.0 United States
Attribution-NonCommercial-NoDerivs 3.0 United States
Özet
L-phenylalanine (Phe), an essential amino acid, is necessary for the synthesis of proteins such as catecholamine and melanin, and is also the precursor of the amino acid L-tyrosine (Tyr). In this paper, optimized structures of Phe, were calculated by using semiempirical models such as AM1, PM3 and MNDO; Density Functional models (DFT) at B3LYP and Hartreefock methods (HF) with 6-311++G (d,p) level. The energies and geometric parameters of Kaempferol were also determined.
Açıklama
Anahtar Kelimeler
DFT, Geometric analysis, HF, Phenylalanine
Kaynak
International Journal of Advances in Scientific Research and Engineering
WoS Q Değeri
Scopus Q Değeri
Cilt
9
Sayı
5