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Theoretical calculation of pentachlorophenol spectrum

descriptionPublicationkeyboard_double_arrow_right Article 01 Jul 2011Publisher:IEEEJournal:2011 International Conference on Multimedia Technology
Authors: null Jianbin Du; null Yanlin Tang; null Bo Long;

doi: 10.1109/icmt.2011.6002364

Theoretical calculation of pentachlorophenol spectrum

Abstract

Use the density functional optimization (DFT) B3LYP/6-311++G(d,p) to calculate the structure and infrared spectrum of pentachlorophenol. Besides, us the time-dependent density functional (TDDFT) B3LYP/6-311++G(d,p) to calculate uv-visible absorption spectrum of pentachlorophenol. In comparison with the calculated results of uv-visible absorption spectrum of the pentachlorophenol and the uv-visible absorption spectrum of phenol, the calculation method is feasible in this paper.

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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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