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Home ChemPack CStruct Class TCTab Methods CalcMissingH | |||||||
See also: CalcChemMolweight, NrHAtoms, CalcMolecularFormula, RemoveHydrogen | |||||||
CalcMissingH |
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The routine CalcMissingH calculates the number of hydrogen atoms for a given hydrogen-depleted structure. Any explicit hydrogen atoms of the structure are also included in the returned value. Warning: This procedure may fail for exotic molecules !
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