International Research journal of Management Science and Technology

  ISSN 2250 - 1959 (online) ISSN 2348 - 9367 (Print) New DOI : 10.32804/IRJMST

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COMPUTATIONAL AND SPECTRAL INSIGHTS INTO NLO POTENTIAL OFN’-[-4-(BENZYLOXY)BENZYLIDENE]-4-FLUOROANILINE

    3 Author(s):  SEEMA, VISHRUT CHAUDHARY, B.S YADAV

Vol -  16, Issue- 2 ,         Page(s) : 58 - 75  (2025 ) DOI : https://doi.org/10.32804/IRJMST

Abstract

In this study, the optimized molecular structure, UV absorption analysis, HOMO-LUMO energies, and nonlinear optical (NLO) properties of N’-[4-(Benzyloxy)benzylidene]-4-fluoroaniline were investigated using Hartree-Fock (HF) and time-dependent density functional theory (TD-DFT) with the 6-311G and 6-311G basis sets.

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