Theoretical study on the structure and vibrational spectra of cyclopentylamine
2006
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Advisor: Prof. Dr. Ziya Kantarcı
Abstract (EN)
In this study, the moleculer structure, harmonic and unharmonic vibrationalfrequencies of cyclopentylamine have been calculated using the DFT (densityfunctional method ) with the 6-31G(2d,2p) basis set. Several of the vibrationalfundamentals modes assigned previously are reassigned on the basis of theB3LYP/6-31G(2d,2p) method and Potential Energy Distributions (PED) of thevibrational modes.
Author
Dr. Gülşah Öztürk
How to Cite
Gülşah Öztürk (Master Thesis). Theoretical study on the structure and vibrational spectra of cyclopentylamine, 2006, Gazi University.
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