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CalebBell / thermo

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
MIT License
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Chemicals with IUPAC names "copper;iron;nickel" and "chromium;molybdenum;nickel" are in PubChem but give Exception: Chemical name not recognized #56

Closed mcgeochd closed 3 years ago

mcgeochd commented 3 years ago

link to copper;iron;nickel in PubChem is https://pubchem.ncbi.nlm.nih.gov/compound/121233900 link to chromium;molybdenum;nickel in PubChem is https://pubchem.ncbi.nlm.nih.gov/compound/57434369

the format is not the issue either because copper;nickel works fine

CalebBell commented 3 years ago

Hi, The pubchem database is well and truly too big to be installed on your computer; only a small subset (~70000) with defined chemical structures and CAS numbers are included.. Neither of those chemicals, which are alloys anyhow, are in the database. Cheers, Caleb

mcgeochd commented 3 years ago

Thanks for the heads up, I don't suppose there's any other way I could use them in that case?

CalebBell commented 3 years ago

Issue #5 has a workaround you might find helpful.