Predict HOMO-LUMO gap here
Examples:
Input SMILES: CC(=O)Oc1ccccc1C(=O)O
Molecule: Acetyl Salicylic Acid
Output:
HOMO-LUMO Gap (Predicted Experimental Value): 3.7508 eV
HOMO-LUMO Gap (Predicted HF Value): 12.9731 eV
*HF is Hatree-Fock quantum mechanical method
Cite the reference publication
To create the SMILES of molecules click here (if required)