Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
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I am working with the graphical function offered by MULTIWFN software. I can obtain the PNG or PDF image without any problem, but I need a file to import into Origin or LibreOffice Calc. The software generates three files: NMRdata, NMRcurve, and NMRline. I tried importing each of them, but none produce a plot.
Also I have another doubt. The manual says: 10 Average shielding values of specific atoms: For example, usually the of the hydrogens in the same methyl group should be averaged, you can use this function to realize this purpose.
So, I must assign the equivalent protons manually?
Can you help me? Kind regards from Brazil.
Pages: 1