Wird geladen...
The performance of composite schemes and hybrid CC/DFT model in predicting structure, thermodynamic and spectroscopic parameters: the challenge of the conformational equilibrium in glycine.()
The structures, relative stabilities, and infrared spectra of the six low-energy conformers of glycine have been characterized by a state-of-the-art quantum-mechanical approach allowing the bond distances, conformational enthalpies and vibrational frequencies to be determined well within chemical ac...
Gespeichert in:
| Veröffentlicht in: | Phys Chem Chem Phys |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2013
|
| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4596005/ https://ncbi.nlm.nih.gov/pubmed/23599122 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c3cp50439e |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|