Litcius/Paper detail

Charge transfer and nonlinear optical properties of anthraquinone D-π-A dyes in relation with the DFT based molecular descriptors and perturbational potential

Nitesh N. Ayare, Vandana Kumari Shukla, Nagaiyan Sekar

2020Computational and Theoretical Chemistry40 citationsDOI

Topics & Concepts

ChemistryDensity functional theorySubstituentComputational chemistryMolecular orbitalExcited stateIntramolecular forceBasis setMoleculeAtomic physicsStereochemistryOrganic chemistryPhysicsNonlinear Optical Materials ResearchPhotochemistry and Electron Transfer StudiesFree Radicals and Antioxidants
Charge transfer and nonlinear optical properties of anthraquinone D-π-A dyes in relation with the DFT based molecular descriptors and perturbational potential | Litcius