Double and single bonds #2329
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BiocharModeling
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Double and single bonds
#2329
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Please read the FAQ. If you have a better rule for the bond order in your system, you could generate the bond file by yourself as the input. |
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Hi, is there any way to improve how the program selects the double and single bonds in the species? For example, for NO2, the program identifies these isomers, but how can we be sure that these are the real species?
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