Structural elucidation, spectroscopic profile, and nonlinear optical properties of 1-ethoxy-2-methoxy-4-(2-nitroethenyl) benzene: A DFT approach
An organic compound, 1-ethoxy-2-methoxy-4-(2-nitroethenyl) benzene (EMNB), was investigated using experimental and density functional theory (DFT) methods. The optimized geometry at the B3LYP/6–311++G(d,p) level shows good agreement with experimental observations. Frontier molecular orbital and TD-D...
שמור ב:
| Principais autores: | , , |
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| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
Elsevier
2026-07-01
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| סדרה: | Results in Chemistry |
| נושאים: | |
| גישה מקוונת: | http://www.sciencedirect.com/science/article/pii/S2211715626004728 |
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