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Electron Donor and Acceptor Influence on the Nonlinear Optical Response of Diacetylene-Functionalized Organic Materials (DFOMs): Density Functional Theory Calculations

Herein, we report the quantum chemical results based on density functional theory for the polarizability (α) and first hyperpolarizability (β) values of diacetylene-functionalized organic molecules (DFOM) containing an electron acceptor (A) unit in the form of nitro group and electron donor (D) unit...

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Detalles Bibliográficos
Autores principales:	Khalid, Muhammad, Hussain, Riaz, Hussain, Ajaz, Ali, Bakhat, Jaleel, Farrukh, Imran, Muhammad, Assiri, Mohammed Ali, Usman Khan, Muhammad, Ahmed, Saeed, Abid, Saba, Haq, Sadia, Saleem, Kaynat, Majeed, Shumaila, Jahrukh Tariq, Chaudhary
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600272/ https://www.ncbi.nlm.nih.gov/pubmed/31159484 http://dx.doi.org/10.3390/molecules24112096

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