| Autor: |
Fitri Noor Febriana, Vera Khoirunisa, Wun Fui Mark-Lee, Febdian Rusydi |
| Rok vydání: |
2022 |
| Předmět: |
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| Zdroj: |
Indonesian Applied Physics Letters. 3:16-19 |
| ISSN: |
2745-3502 |
| Popis: |
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. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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