Sunday, May 31, 2009

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.

exp. calc. diff.
8.019 1.609 -6.41
2.970 3.001 0.031
2.883 3.001 0.118

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:


At 6:17 PM, Anonymous Anonymous said...

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At 4:04 PM, Anonymous Anonymous said...

Amiable dispatch and this post helped me alot in my college assignement. Thanks you on your information.

At 4:15 AM, Anonymous rANa said...

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-

At 8:03 AM, Blogger old swan said...

These programs have been apparently rejected by their own author. Look for something else, like old-time correlation tables.


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