Article ID Journal Published Year Pages File Type
5161027 Journal of Molecular Structure 2017 41 Pages PDF
Abstract
The optimized molecular structures of 4PCA molecule.129
Keywords
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Physical Sciences and Engineering Chemistry Organic Chemistry
Preview
Spectroscopic (FT-IR, FT-Raman, UV-Vis) analysis, conformational, HOMO-LUMO, NBO and NLO calculations on monomeric and dimeric structures of 4-pyridazinecarboxylic acid by HF and DFT methods
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