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Density functional theory and Raman spectroscopy applied to structure and vibrational mode analysis of 1,1 ',3,3 '-tetraethyl-5,5 ',6,6 '-tetrachloro-benzimidazolocarbocyanine iodide and its aggregate

Aydin, Metin; Dede, Ozge; Akins, Daniel L. (Amer Inst Physics, 2011)

We have measured electronic and Raman scattering spectra of 1,1 ',3,3 '-tetraethyl-5,5 ',6,6 '-tetrachloro- benzimidazolocarbocyanine iodide (TTBC) in various environments, and we have calculated the ground state geometric ...