| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6877488 | Journal of Molecular Graphics and Modelling | 2018 | 44 Pages |
Keywords
CURMIABSSEPESBDEQTAIMDFTDMSOAntioxidantHydrogen atom transferInteraction energybond dissociation energyIonization energyHomohighest occupied molecular orbitalbasis set superposition errorDimethyl sulfoxidePotential energy surfaceLUMOQuantum theory of atoms in moleculesMetal ion affinityMetal cationsHATLowest Unoccupied Molecular OrbitalCurcumin
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
C. Pitchumani Violet Mary, S. Vijayakumar, R. Shankar,