Thermal kinetics, 3D-FMOs and spectral phase matching of 2-aminopyridinium diphenylacetate diphenylacetic acid crystal
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DOI: 10.1007/s10854-020-04011-4
Abstract: The bulk size title crystal is grown by adopting temperature lowering technique. The intermolecular charge transfer reactions, frontier molecular energy gaps and nonlinear optical properties have been calculated theoretically by density functional theory. The investigations… read more here.
Keywords: fmos spectral; thermal kinetics; crystal; phase matching ... See more keywords