Spectrum of 1,4-dinitrotetramethylbenzene

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tj@bc
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Posts: 13
Joined: Wed Dec 15, 2021 3:22 pm

Spectrum of 1,4-dinitrotetramethylbenzene

Post by tj@bc »

Hello all--I was trying to simulate this spectrum from the literature, just because it looked interesting. I have attached the article, as well as my first attempt. Any guidance will be much appreciated!

[/attachment]

spectrum.png
spectrum.png (356.65 KiB) Viewed 153885 times
simulation attempt.png
simulation attempt.png (85.99 KiB) Viewed 153885 times
molecule.png
molecule.png (27.45 KiB) Viewed 153885 times
Attachments
article_Page_2.jpg
article_Page_2.jpg (963.63 KiB) Viewed 153885 times
article_Page_1.jpg
article_Page_1.jpg (964.94 KiB) Viewed 153885 times
katarkon
Local Expert
Posts: 186
Joined: Mon Jan 12, 2015 4:01 am

Re: Spectrum of 1,4-dinitrotetramethylbenzene

Post by katarkon »

You have to use additional simulation function exchange(). See file exchange topics viewtopic.php?f=8&t=309 and viewtopic.php?f=8&t=465
Good luck.

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