Back to Search
Start Over
Computational Chemistry Laboratory: Calculating the Energy Content of Food
- Publication Year :
- 2021
- Publisher :
- Universitat Jaume I, 2021.
-
Abstract
- Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2020/2021 The nutritional value of foods has been evaluated to assess whether the theoretical value obtained through computational calculations correlates with the one provided on the food labeling. For this purpose, the combustion reactions for several components of foods have been calculated using different computational methods: AM1, xTB, SCC-DFTB, B3LYP, and PBE/D3(BJ).
- Subjects :
- Grau en Química
Bachelor's Degree in Chemistry
Grado en Química
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Accession number :
- edsair.od......1500..5db7c53e964330cd6bac3423368b36be