Molecular structure, normal coordinate analysis, harmonic vibrational frequencies, NBO, HOMO–LUMO analysis and detonation properties of (S)-2-(2-oxopyrrolidin-1-yl) butanamide by density functional methods
| Autor: | Renuga, S., Muthu, S. |
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| Zdroj: | In Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 24 January 2014 118:702-715 |
| Databáze: | ScienceDirect |
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