Introducing the various electron withdrawing functions in trigging the optical nonlinearity of benzodithiophene based chromophores: A quantum chemical approach

Introducing the various electron withdrawing functions in trigging the optical nonlinearity of benzodithiophene based chromophores: A quantum chemical approach

The nonlinear optical (NLO) characteristics exhibited by organic compounds hold significant value in the realm of photonics and optoelectronics applications. Herein, the Density Functional Theory method at MPW1PW91/6-311G (d,p) functional was utilized to evaluate the electronic and NLO behavior of n...

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Bibliographic Details
Main Authors: Iqra Shafiq, Romaisa Zahid, Khalid Mahmood, Muhammad Adnan Asgha, Tansir Ahamad, Sarfraz Ahmed, Suvash Chandra Ojha
Format: Article
Language:English
Published: Elsevier 2023-11-01
Series:Journal of Saudi Chemical Society
Subjects:
Non-fullerene
Quantum chemical calculations
DFT/TD-DFT
Hyperpolarizability
FMO
Online Access:http://www.sciencedirect.com/science/article/pii/S1319610323001710

Internet

http://www.sciencedirect.com/science/article/pii/S1319610323001710

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