Protonation of serine conformers, proton affinities and gas-phase basicities at the "gold standard" and beyond /
The potential energy surfaces (PESs) of serine and its protonated counterparts are investigated to determine the structures of the minima. A total of 95 neutral serine, 15 N-(amino-) and 46 O-(carbonyl-)protonated serine conformers are found. Their relative energies, geometries and harmonic vibratio...
Elmentve itt :
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| Dokumentumtípus: | Cikk |
| Megjelent: |
2023
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| Sorozat: | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
25 No. 12 |
| Tárgyszavak: | |
| doi: | 10.1039/d3cp00612c |
| mtmt: | 33732667 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/31853 |