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Cluster
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monomer C32H14
type dimer
conformation step
scaling factor multiple (3)

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

Details

Properties

Weight 796.2191 amu
Total energy -2453.03 Hartree
Zero-point energy 447.444 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-AG

Reference(s)

Comment(s)

History


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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)