Journal Article10.1016/J.SAA.2014.06.040
Synthesis, structural, spectral (FTIR, FT-Raman, UV, NMR), NBO and first order hyperpolarizability analysis of N-phenylbenzenesulfonamide by density functional theory.
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TL;DR: The stability of the molecule arising from hyper conjugative interaction and charge delocalization has been analyzed using NBO analysis, and the thermodynamic properties of the compound were calculated at different temperatures and corresponding relations between the properties and temperature were studied.
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About: This article is published in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. The article was published on 10 Dec 2014. The article focuses on the topics: Hyperpolarizability & Molecular geometry.
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