MolQuO

Quantitative Quadrant-Diagram Representation of Molecular Systems


REFERENCES:

Chem. Eur. J. 2012, 18, 995; Chem. Eur. J. 2012, 18, 14026.



Select your input file


XYZ - cartesian coordinates format:



Select alignment hypothesis


Center on Origin (0, 0, 0)
Align with an Axis (0, 0, +z)
Align with a Plane (0, -y, +z)


Calculate Quadrant Occupation: distance-weighted Volume (VW )


Exclude atoms from calculation:

Modify Parameters


k :
l :

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