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Size Dependence of Si Nanocrystals Infrared Spectra: A Density Functional Theory Study

✍ Scribed by Mudar A. Abdulsattar


Book ID
120670697
Publisher
Springer Netherlands
Year
2013
Tongue
English
Weight
383 KB
Volume
5
Category
Article
ISSN
1876-990X

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The vibrational force Ðelds of trans-stilbene, cis-stilbene, trans-4,4ΒΊ-diΓ‘uorostilbene and trans-azobenzene were computed by employing gradient corrected density functional theory. Raman intensities were evaluated by numerical second di †erentiation of energy gradients and used together with comput