Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, TD-DFT and thermodynamic analysis of 4-amino-3-hydroxy-1-naphthalenesulfonic acid by DFT approach

Autor: Sebastian, S., Sylvestre, S., Sundaraganesan, N., Amalanathan, M., Ayyapan, S., Oudayakumar, K., Karthikeyan, B.
Zdroj: In Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 15 April 2013 107:167-178
Databáze: ScienceDirect