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   calcium hydroxide with six water molecules
caohoh

Notes

This structure comes from minimising the energy of a Ca(OH)2.6H2O cluster using B3LYP


SMILES

Canonical SMILES

InChI

MInChI v0.9
MInChIxe1 Ca 2H2O hxm2xa1H2xsq xp2xmxmxspxh 2


Structure files

MOL file ; PDB file

Conformation
B3LYP minimisation


Updated: 28 July 2006



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department of chemistry University of Cambridge