2015•Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyRequires access

Theoretical investigation on vibrational spectra, first order hyperpolarizability and NBO analysis of 4-Phenylpyridinium hydrogen squarate

Xiaohong Li, Yongliang Yong, Hong‐Ling Cui, Rui-Zhou Zhang, Xianzhou Zhang

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Key concepts: Hyperpolarizability, Natural bond orbital, Molecular orbital, Chemistry, HOMO/LUMO, Molecule, Hydrogen bond, Atomic orbital

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Theoretical investigation on vibrational spectra, first order hyperpolarizability and NBO analysis of 4-Phenylpyridinium hydrogen squarate — Research Paper | ScholarLens