The study of vibration of 1,8-diaminooctane molecule through therotıcal methods
2006
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Advisor: Y.doç.dr. Akif Özbay
Abstract (EN)
vTHE STUDY OF VIBRATION OF 1,8-DIAMINOOCTANEMOLECULE THROUGH THEORETICAL METHODS(M. Sc. Thesis)Nurcan ZAFERGAZİ UNIVERSITYINSTITUTE OF SCIENCE AND TECHNOLOGYSeptember 2006ABSTRACTIn this study,the geometrical and vibrational frequencies of 1,8 -diaminooctane molecule are theoretically calculated in the most stablecondition with the Gaussian 98 W programme .The geometrical parametersand vibrational frequencies of the most stable condition was theoreticallycalculated.Through the assigment of these frequencies, the Infrared and Ramanintensity was determined.The correlation graphs were drawn by comparing thetheoretically calculated frequencies with the experimental ones.Comparisionsamong the calculation methods were made by means of these graphs.Science Code :202.1.008Key Words :1,8-diaminooctane, Infrared, Raman, BLYP, B3LYP,HFPage Number : 60Adviser : Yrd. Doç. Dr. Akif ÖZBAY
Author
Dr. Nurcan Zafer
How to Cite
Nurcan Zafer (Master Thesis). The study of vibration of 1,8-diaminooctane molecule through therotıcal methods, 2006, Gazi University.
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