studi ab-initio mekanisme pembentukan transisi reaksi oksidasi co oleh no2 di udara

Clicks: 188
ID: 218513
2016
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Abstract
The transition state formation’s mechanism of CO oxidation reaction by molecule of NO2 has been done using ab-initio computation by Density Functional Theory (DFT). Geometry optimation was done by B3LYP and 6-31G* basis set using HyperGauss and HyperDFT computer software. The result is we hypothese that there was three transition state takes place, therewere trans-Transition State (KTt), cis-Transition State (KTc) and cyclic-Transition State (KTs). All of three was gradually takes place in a very short time intervals.   Keywords: density functional theory (DFT), geometry optimation, intermediate, transition state
Reference Key
beri2016sainstek:studi Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors ;Deski Beri
Journal eurasip journal on image and video processing
Year 2016
DOI
DOI not found
URL
http://ecampus.iainbatusangkar.ac.id/ojs/index.php/sainstek/article/view/64
Keywords
technology (general)science (general)

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