New Journal of Chemistry · 2019 · 26 citations · 48 references
Natural SciencesChemistryPhysicsComputational ChemistryQuantum ChemistryTheoretical ChemistryComputational Quantum ChemistryMolecular Orbital TheoryNonlinear Optical MaterialsNonlinear OpticsOptical Properties Of MaterialsOptical SpectroscopyChromophore PhotophysicsMolecular Nonlinear OpticsNonlinear Optical PropertiesOptical PropertiesOrganic Dye PhotophysicsOrganic Nonlinear Optical MaterialsQuantum Chemical ModelingStructure-property Relationships In Dyes
Here we investigate the structural, photophysical and nonlinear optical (NLO) properties of phenoxazin-3-one dyes, resazurin (Rz) and resorufin (Rf), by performing quantum chemical calculations using the DFT and TDDFT methods.
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Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 17.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations