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

Published 2017 View Full Article

Authors

Keywords

4–pyridazinecarboxylic acid, NLO, NBO, UV–, Vis, Vibrational spectra, PED

Journal

JOURNAL OF MOLECULAR STRUCTURE

Volume 1147, Issue -, Pages 322-334

Publisher

Elsevier BV

Online

2017-06-24

DOI

10.1016/j.molstruc.2017.06.110

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