Spectroscopic Characterization and DFT Calculations on 1H-benzimidazole-2-carboxylic acid monohydrate Molecule
After first determining the optimized geometry of the 1H-benzimidazole-2-carboxylic acid monohydrate (1HBCM) molecule using the B3LYP/6-311+ + G (d, p) basis set, we investigated the spectroscopic properties, electronic properties and optical band gap of the molecule. We presented the fitted values...
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| Hlavní autoři: | , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Sakarya University
2022-10-01
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| Edice: | Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi |
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| On-line přístup: | https://dergipark.org.tr/tr/download/article-file/2361592 |
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