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Cluster
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monomer C16H10
type tetramer
conformation graphite
scaling factor multiple (3)

TransitionsLeft-clk & drag: Zoom; Right-clk: reset

Details

Properties

Weight 808.313 amu
Total energy -2460.114 Hartree
Zero-point energy 527.5656 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-AG

Reference(s)

Comment(s)

History


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556 species present in version 1.00 of the theoretical database (Dec 2, 2008)