Comprehensive density functional theory investigation of the structural, spectroscopic, and electronic properties of 5-phenoxy-1 H-benzimidazole
Abstract A detailed quantum-chemical investigation of 5-phenoxy-1 H-benzimidazole (5-PB) has been carried out using Density Functional Theory to elucidate its molecular structure, vibrational characteristics, and electronic behavior. Geometry optimization and frequency calculations were performed at...
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| 主要な著者: | , , , , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Springer
2026-06-01
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| シリーズ: | Discover Chemistry |
| 主題: | |
| オンライン･アクセス: | https://doi.org/10.1007/s44371-026-00752-z |
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