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Properties Estimation

Polymer

Molecular Orbital

Material Design

Chemical Engineering

ChemNeuro
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Trouble Shooting

 

 

Molecular Volume, Surface

Draw molecule at cyan panel. How to use animation1, animation2
Change atom type or delete atom, mouse down and up at the same atom.

 

Cis-, Trans- compounds return average of both.
Hydrogen will be added automatically by program.

Group Aditivity Method estimation for Volume and Surface