Assessment of Theoretical Approaches to the Evaluation of Dipole Moments of Chromophores for Nonlinear Optics
Source abstract
Abstract
The calculation of dipole moments of nonlinear optical (NLO) chromophores can be carried out with a variety of theoretical approaches. A systematic study of the available calculation methods is presented. The study focuses on a series of NLO chromophores with varying electron-donor and electron-acceptor fragments and differing length of the π-conjugated system (see Figure for an example of the chromophores studied).
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Nonlinear Optical Materials Research · Molecular spectroscopy and chirality · Photoreceptor and optogenetics research
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