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Initiation Reactions of Lipid Peroxidation: A Raman Spectroscopic and Quantum-Mechanical Study

✍ Scribed by Tachikawa, Hiroyasu; Polasek, Martin; Huang, Joan Q.; Leszczynski, Jerzy; Salahudeen, Abdulla K.; Kwiatkowski, Jozef S.

Book ID
115364167
Publisher
Society for Applied Spectroscopy
Year
1998
Tongue
English
Weight
153 KB
Volume
52
Category
Article
ISSN
0003-7028

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Raman spectrum of coronene: a scaled qua
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The Raman spectrum of coronene was calculated using the scaled quantum mechanical force Ðeld approach, based on density functional calculations at the B3LYP/6-31G\* level. This procedure applied to benzene reproduces the position of the gas phase fundamentals with 7 cm-1 absolute mean deviation. Sem