Testing the Razors
As I wrote initially, I like the razors because they are easy to learn and use.
I have simulated two molecules only, because they are the standard (minimal) test I perform on simulation software. I come from the old school, where simulation means generating a plot from chemical shift values (while the razors mainly estimate the chemical shifts from the structure).
The first test is N,N-dimethylformamide.
1-H
exp. calc. diff.
8.019 1.609 -6.41
2.970 3.001 0.031
2.883 3.001 0.118
13-C
exp. calc. diff.
162.6 198.7 36.1
36.4 34.568 -1.9
31.3 34.568 3.3
The second test is ortho-dichloro-benzene.
Simulated by iNMR:
Simulated by HNMRazor:
posted by old swan @ 6:00 PM
4 comments
4 Comments:
I wish not concur on it. I assume polite post. Expressly the title attracted me to be familiar with the intact story.
Amiable dispatch and this post helped me alot in my college assignement. Thanks you on your information.
Man, can u help me to find out HNMRazor & CNMRazor? I've searched web a lot, but failed to get any download link... I'm a student from Bangladesh... Plz send me those software if possible (both mac OS X & Windows version if possible)
Many Thanks-
rANa,
kana.rana@gmail.com
These programs have been apparently rejected by their own author. Look for something else, like old-time correlation tables.
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