2008•Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyRequires access

Vibrational spectra and assignments using ab initio and density functional theory analysis on the structure of biotin

Mohammad Mahdi Emami, Abbas Teimouri, Alireza Najafi Chermahini

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Key concepts: Density functional theory, Ab initio, Spectral line, Computational chemistry, Chemistry, Materials science, Hybrid functional, Molecular physics

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