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Study on Vapor-Liquid Nucleation Rates for n-Alcohols by Density Functional Theory

✍ Scribed by Huijie Wu; Prof. Dr. Xiaosen Li

Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
193 KB
Volume
28
Category
Article
ISSN
0256-7660

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## Abstract The ^295^Pt and ^205^Tl NMR chemical shifts of the complexes [(NC)~5~Ptο£ΏTl(CN)~__n__~]^__n__βˆ’^ __n__=0–3, and of the related system [(NC)~5~Ptο£ΏTlο£ΏPt(CN)~5~]^3βˆ’^ have been computationally investigated. It is demonstrated that based on relativistically optimized geometries, by applying an