Theoretical study of the Tetraaminelithium and Tetraaminesodium molecules complexed with H−, Li− and Na− anions: static and dynamic NLO parameters-Reference-Cited by-同舟云学术

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Theoretical study of the Tetraaminelithium and Tetraaminesodium molecules complexed with H−, Li− and Na− anions: static and dynamic NLO parameters

Published:2023-12-13 Issue:1 Volume:30 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Bekri Lahcène,Elhorri Abdelkader M.,Hedidi Madani,Zouaoui–Rabah Mourad

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s00894-023-05801-3.pdf

Reference77 articles.

1. Tasheh NS, Nkungli NK, Ghogomu JN (2019) A DFT and TD-DFT study of ESIPT-mediated NLO switching and UV absorption by 2-(2′-hydroxy-5′-methylphenyl)benzotriazole. Theo Chem Acc 138:100. https://doi.org/10.1007/s00214-019-2488-0

2. Kang H, Ye J, Wang H, Zhang Y, Qiu Y (2021) DFT study of effect of substituents on second-order NLO response of novel BODIPY dyes. Theo Chem Acc 140:47. https://doi.org/10.1007/s00214-021-02758-5

3. Kara Zaitri L, Mekelleche SM (2021) DFT and TD-DFT study on quadratic NLO response and optoelectronic activity in novel Y-shaped imidazole-based push-pull chromophores. J Mol Mod 27:136. https://doi.org/10.1007/s00894-021-04764-7

4. Fonseca S, Santos L, Pereira R, Modesto-Costa L, da Cunha AR, Siqueira MRS, Carvalho FAO, Andrade-Filho T, Gester R (2022) A DFT analysis of electronic, reactivity, and NLO responses of a reactive orange dye: the role of Hartree-Fock exchange corrections. J Mol Mod 28:85. https://doi.org/10.1007/s00894-022-05035-9

5. Mahmood A, Hu J, Tang A, Chen F, Wang X, Zhou E (2018) A novel thiazole based acceptor for fullerene-free organic solar cells. Dyes Pigments 149:470–474. https://doi.org/10.1016/j.dyepig.2017.10.037

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