Indonesian Applied Physics Letters
Vol. 3 No. 1 (2022): Indonesian Applied Physics Letters - June 2022

Theoretical Study of the Stability of Acetylcholine Based on Molecular Orbital Theory using Density Functional Theory

Febriana, Fitri Noor (Unknown)
Khoirunisa, Vera (Unknown)
Mark-Lee, Wun Fui (Unknown)
Rusydi, Febdian (Unknown)

Article Info

Publish Date
31 Oct 2022

Abstract

Some molecules in nature have a positive or negative charge. One such molecule is acetylcholine. Acetylcholine is a positively charged molecule that is responsible for Alzheimer's disease. This study evaluated acetylcholine through six simple molecules based on the ionization potential and the HOMO-LUMO gap obtained from the density functional theory calculation. The calculation results showed that the ionization potential and the HOMO-LUMO gap could explain the stability of acetylcholine and the six other molecules. As a result, acetylcholine has the same properties as five other simple molecules. Meanwhile, one other molecule has the opposite properties to acetylcholine.

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Journal Info
Indonesian Applied Physics Letters
Website

Abbrev

IAPL

Publisher

Universitas Airlangga

Subject

Chemical Engineering, Chemistry & Bioengineering Electrical & Electronics Engineering Materials Science & Nanotechnology Physics

Description

Indonesian Applied Physics Letter is an multi-disciplinary international journal which publishes high quality scientific and engineering papers on all aspects of research in the area of applied physics and wide practical application of achieved results. The field of IAPL, which can be described as ...