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6 votes
1 answer
166 views

How to calculate molar mass of (6)UO2+2D and (6)UO2OH+D?

For a hydrogeochemistry project, I want to calculate the molar masses of some compounds. I came across a problem when encountering species like (6)UO2+2D (aq) and <...
thymaro's user avatar
  • 173
23 votes
1 answer
808 views

Structure that breaks InChI

I am currently testing a piece of software that generates the InChI for a given structure. I also want to test error situations as end users will also deliver the mol files that will be used as input ...
cheffe's user avatar
  • 365