DFT study of alkali and alkaline earth metal-doped benzocryptand with remarkable NLO properties

Author:

Maqsood Nimra1,Asif Areeba1,Ayub Khurshid2ORCID,Iqbal Javed1ORCID,Elnaggar Ashraf Y.3ORCID,Mersal Gaber A. M.4,Ibrahim Mohamed M.4,El-Bahy Salah M.5

Affiliation:

1. Department of Chemistry, University of Agriculture, Faisalabad-38000, Pakistan

2. Department of Chemistry, COMSATS University, Islamabad, Abbottabad Campus, Abbottabad, 22060, Pakistan

3. Department of Food Science and Nutrition, College of Science, Taif University, Taif 21944, P. O. Box 11099, Saudi Arabia

4. Department of Chemistry, College of Science, Taif University, P. O. Box 11099, Taif 21944, Saudi Arabia

5. Department of Chemistry, Turabah University College, Taif University, P. O. Box 11099, Taif 21944, Saudi Arabia

Abstract

Strategies for designing remarkable nonlinear optical materials using excess electron compounds are well recognized in literature to enhance the applications of these compounds in nonlinear optics.

Funder

University of Agriculture, Faisalabad

Taif University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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