Surface-Enhanced Vibrational and TPD Study of Nitroaniline Isomers
β Scribed by Posey, K.L.; Viegas, M.G.; Boucher, A.J.; Wang, C.; Stambaugh, K.R.; Smith, M.M.; Carpenter, B.G.; Bridges, B.L.; Baker, S.E.; Perry, D.A.
- Book ID
- 126068490
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 253 KB
- Volume
- 111
- Category
- Article
- ISSN
- 1932-7447
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The Book Is Intended To Serve As An Introduction For Scientists, Technologists, And Students Who May Use Some Aspect Of Surface-enhanced Vibrational Spectroscopy In Their Work. It Has Been Designed To Provide A General Introduction To Concepts And Techniques, Rather Than A Strong Theoretical Or Expe
Geometry optimizations are performed for three isomers of C2o, namely the ring, bowl (corannulene-like), and cage (fullerene-like) configurations, using both the local density functional approximation (LDA), and gradient-corrected density functional theory (BLYP). The BLYP results confirm the previo