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- W4285283857 abstract "DFT approach is applied to study the key features of a novel 1-Ethyl-4-phenyl-1,5-benzodiazepin-2-thione] (EPBZ) molecule and its number of derivatives for opto-nonlinear applications for first time. Molecular geometry, Optical, HOMO-LUMO and NLO properties are reported. TD-DFT method is used to study the photophysical properties of EPBZ and its derivatives. Detailed HOMO-LUMO study is reported. The prospective of EPBZ is exploited as efficient nonlinear optical material." @default.
- W4285283857 created "2022-07-14" @default.
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- W4285283857 date "2022-01-01" @default.
- W4285283857 modified "2023-10-16" @default.
- W4285283857 title "DFT studies on a novel 1-Ethyl-4-phenyl-1,5-benzodiazepin-2-thione molecule and its derivatives for opto-nonlinear applications" @default.
- W4285283857 doi "https://doi.org/10.30919/es8d714" @default.
- W4285283857 hasPublicationYear "2022" @default.
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