Quantum chemical study of molecular properties of small branched-chain amino acids in water
Abstract Four aliphatic amino acids—α-aminobutyric acid (AABA), β-aminobutyric acid (BABA), α-aminoisobutyric acid (AAIBA) and β-aminoisobutyric acid (BAIBA) were investigated in water as a solvent by two quantum chemical methods. B3LYP hybrid version of DFT was used for geometry optimization and a...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer
2025-01-01
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| Series: | Amino Acids |
| Subjects: | |
| Online Access: | https://doi.org/10.1007/s00726-024-03437-y |
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