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An experimental and DFT computational study on 4-(3-(1H-imidazol-1-yl)propyl)-5-methyl-2H-1,2,4-triazol-3(4H)-one monohydrate |
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| Authors: | Hasan Tanak Yavuz Köysal Yasemin Ünver Metin Yavuz Şamil Işık Kemal Sancak |
| Affiliation: | 1. Department of Physics, Faculty of Arts and Sciences , Ondokuz May?s University , 55139 Kurupelit, Samsun, Turkey htanak@omu.edu.tr;3. Samsun Vocational School, Ondokuz May?s University , 55139 Kurupelit, Samsun, Turkey;4. Department of Chemistry, Faculty of Arts and Sciences , Karadeniz Technical University , 61080 Trabzon, Turkey;5. Department of Physics, Faculty of Arts and Sciences , Ondokuz May?s University , 55139 Kurupelit, Samsun, Turkey |
| Abstract: | |
| Keywords: | ab initio electronic structure quantum chemistry computational chemistry |