Journal of molecular graphics & modellingAzulenesSolventsDensity Functional TheoryElectronsModels
Solvent-dependent electronic, photophysical and nonlinear optical properties of azulene-based push-pull chromophores: A DFT approach.
Dhanya P K, Arjun J, Navjot Kaur, Renjith Raveendran Pillai
Published: 202610.1016/j.jmgm.2025.109180
Abstract
This work presents a computational analysis of a series of azulene-based push-pull chromophores (A1-A10) with customized nonlinear optical (NLO) characteristics, targeting advanced applications in photonics and optoelectronics. By employing density f…
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