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Theoretical and experimental IR spectra and assignments of 3-aminopyridine

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Author
Büyükmurat, Y.
Akyüz, Sevim
Type
Article
Date
2001-05-28
Language
en_US
Metadata
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Abstract
A normal mode analysis was carried out for 3-aminopyridine using force field refinement method together with ab-initio (4-31G∗) and semiempirical (AM1) quantum chemical calculations. The initial force field parameters of 3-aminopyridine were refined from the corresponding parameters of pyridine molecule. The results indicate a qualitative agreement in normal modes assignments, which are made upon quantum chemical calculations, force field refinement results and one made earlier upon experimental information.
Subject
Aminopyridine
Normal coordinate analysis
Force field
URI
https://doi.org/10.1016/S0022-2860(00)00801-2
https://hdl.handle.net/11413/2594
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  • Makaleler / Articles [293]

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Istanbul Kültür University, Ataköy Campus E5 Karayolu Üzeri Bakırköy 34158, İstanbul / TURKEY
Copyright © İstanbul Kültür University

Creative Commons Lisansı
IKU Institutional Repository, Creative Commons Alıntı-GayriTicari-Türetilemez 4.0 Uluslararası Lisansı ile lisanslanmıştır.

Designed by  UNIREPOS