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Thank you for the quick reply. I think I know what you mean. Just one concern: Wouldn't altering the structure on such a level falsify the results to some extend? Anyway, I will give it a try. Thank you again.
Hi Prof. Lu, hi everyone,
I just have a question regarding the possibility to conduct an intramolecular sobEDA analysis. I am uncertain how to generate the fragment input file required for the sobEDA script, as after breaking the bond I want to study, there is still only one fragment. Am I able to generate input files for the sobEDA method for intramolecular systems? Any advice would be highly appreciated.
Thank you in advance.
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