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Spectrum of 1,4-dinitrotetramethylbenzene
Posted: Wed Jan 05, 2022 10:07 am
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!
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- spectrum.png (356.65 KiB) Viewed 154830 times
- simulation attempt.png (85.99 KiB) Viewed 154830 times
- molecule.png (27.45 KiB) Viewed 154830 times
Re: Spectrum of 1,4-dinitrotetramethylbenzene
Posted: Fri Jan 07, 2022 11:20 am
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.