Imidazole and its Saturated Derivatives Vs Pyrazole and it Saturated Derivatives: A Computational Study on Relative Stability
Possible structures of imidazole, pyrazole, and their semi saturated and fully saturated derivatives have been studied at the DFT and ab initio computational levels. Calculations have been performed using several computational schemes (BLYP, PBE0, CAM-B3LYP, wB97XD, M06, MP2, CBS-QB3, and G4 methods...
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| Format: | Article |
| Language: | English |
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PURKH
2019-12-01
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| Series: | To Chemistry Journal |
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| Online Access: | https://purkh.com/index.php/tochem/article/view/580 |