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Effect of Solvation on Glycine Molecules: A Theoretical Study
[Image: see text] Ab initio calculations of HF+MP2 and DFT-B3LYP quality have been used in calculating the molecular geometries and properties of neutral and charged molecules of glycine in amino acid as well as zwitterionic forms. A traditional set of molecular descriptors has been enriched by the...
| 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/PMC10413822/ https://www.ncbi.nlm.nih.gov/pubmed/37576642 http://dx.doi.org/10.1021/acsomega.3c02972 |