Alberto Lopez

Theoretical insights into the electronic structure and NBO features driving nonlinear optical enhancement in the donor–π–acceptor system of OPPh3py

Abstract Organic materials capable of intramolecular charge transfer (ICT) are of considerable interest for photonic, biophysics and medicine applications because of their strong nonlinear optical (NLO) responses and favourable electro-optic properties. In this work, diphenyl-[2-...