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Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 06/2012, Volume 91, pp. 402 - 410
Molecular structure and vibrational frequencies of 2-amino-5-nitropyrimidine (2A5NP) have been investigated by density functional theory (DFT) calculations... 
HOMO | LUMO | FT-IR | DFT | FT-Raman | 2A5NP | FT-RAMAN SPECTRA | PYRIMIDINES | REACTIVITY | IR | FORCE-FIELDS | VIBRATIONAL ANALYSIS | SPECTROSCOPY | ELECTRONEGATIVITY | BASIS-SETS | NORMAL-COORDINATE ANALYSIS | DENSITY-FUNCTIONAL THEORY | Specific gravity | Optical properties
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