Browsing Fizik / Physics by Author "Basoglu, A; Avci, D; Atalay, Y; Celik, F; Sahinbas, T"

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Theoretical studies on molecular structure and vibrational spectra of 8-hydroxyquinolinium picrate

Başoğlu, Adil; Avcı, Davut; Atalay, Yusuf; Çelik, Fikret (PERGAMON-ELSEVIER SCIENCE LTD, 2011)

Quantum chemical calculations of geometrical structure and vibrational wavenumbers of 8-hydroxyquinolinium picrate (8-HQP) were carried out by ab initio HF and density functional (DFT/B3LYP) method with 6-31++G(dp) basis ...