File:Nitrogen Dioxide LUMO.jpg

Nitrogen_Dioxide_LUMO.jpg(434 × 262 pixels, file size: 167 KB, MIME type: image/jpeg)

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English: Nitrogen dioxide (NO2) lowest unoccupied molecular orbital (LUMO). E = -0.11 a.u. (-2.99 eV)(for α spin MO 13). Firefly 8.2.0 DFT UB3LYP 6-311+G(d) geometry (no imaginary frequencies), NBO 5.9 output and Jmol visualization. Total energy = -205.1429 a.u. (C2v point group symmetry). The bond order is between one and two (here calc. 1.78). NO2, a free radical, is generally seen as a reddish-brown gas (an atmospheric pollutant) and is an acidic oxide contributing to acid rain. It can be produced in vehicle engines or lightning/electrostatic discharges. Catalytic converters reduce such emissions.
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Source https://www.flickr.com/photos/69057297@N04/45191571764/
Author ChiralJon

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This image was originally posted to Flickr by ChiralJon at https://flickr.com/photos/69057297@N04/45191571764 (archive). It was reviewed on 10 March 2019 by FlickreviewR 2 and was confirmed to be licensed under the terms of the cc-by-2.0.

10 March 2019

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Date/TimeThumbnailDimensionsUserComment
current02:08, 10 March 2019Thumbnail for version as of 02:08, 10 March 2019434 × 262 (167 KB)GlobalPhotos1 (talk | contribs)User created page with UploadWizard

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