Theoretical calculation of the vibrational frequencies of the ABA (Mg) molecule
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Abstract (EN)
Keywords: Gaussian 98, vibration mode, infrared spectra, frequencies, p - aminobenzoic acid In this study vibrational frequencies of ABA (Mg) molecule is calculated using Gaussian 98 packet programme. In the study of literature, vibrational frequencies of this molecule are obtained by experiments and types of it are determined. Data obtained through experiments and the theoretical results have been compared and geometry of the molecule is then determined theoretically.
Author
İsmail Yılmaz
How to Cite
İsmail Yılmaz (Master Thesis). Theoretical calculation of the vibrational frequencies of the ABA (Mg) molecule, 2003, Sakarya University.
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