Geometric Modelling and Analysis of the Amino Acid: Phenylalanine
DOI:
https://doi.org/10.31695/IJASRE.2023.9.5.5Keywords:
Phenylalanine, DFT, HF, Geometric analysisAbstract
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 using semi-empirical 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
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Copyright (c) 2023 ARZU ÖZGEN, SİNEM GÜRKAN AYDIN

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