Styrene monomer as potential material for design of new optoelectronic and nonlinear optical polymers: density functional theory study
Using density functional theory, we have studied the intrinsic properties of styrene. First, we determine the optimized structures, structural parameters and thermodynamic properties to make our simulations more realistic to experimental results and check the stability. Second, we investigate optoel...
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| Principais autores: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
The Royal Society
2024-07-01
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| Series: | Royal Society Open Science |
| Assuntos: | |
| Acceso en liña: | https://royalsocietypublishing.org/doi/10.1098/rsos.240014 |
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