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Computational Study of Doping in Dopamine with Halogens to Control Optical and Spectroscopic Properties
[Image: see text] In this research, a comprehensive study of dopamine was conducted using the theoretical first principles method due to its crucial importance as a hormone for the neurotransmission process in the animal body. Many basis sets and functionals were used for optimization of the compoun...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10268270/ https://www.ncbi.nlm.nih.gov/pubmed/37323415 http://dx.doi.org/10.1021/acsomega.3c01946 |