An older version of the theoretical database is currently selected, click here to switch to the latest
Cluster
You need a browser with JavaScript support in order to view the molecule in 3D
monomer C16H10
type pentamer
conformation step
scaling factor multiple (3)

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

Details

Properties

Weight 1010.391 amu
Total energy -3075.15 Hartree
Zero-point energy 659.4234 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-AG

Reference(s)

Comment(s)

History


You are kindly asked to consider the following references for citation when using the database:


3,139 species present in version 3.00 of the theoretical database (Aug 18, 2017)