Computational thermochemical study of enthalpies of formation of B-alkylthiophenes using ab initio and DFT calculations
The values for the standard molar enthalpies of formation of a series of the B-ring position alkyl-substituted thiophenes are calculated at 298.15 K using the Hartree-Fock (HF) and density functional theory (DFT) techniques. The results obtained are discussed in term of the substituent effect on the...
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| Format: | Article |
| Language: | English |
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Slovenian Chemical Society
2015-11-01
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| Series: | Acta Chimica Slovenica |
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| Online Access: | https://journals.matheo.si/index.php/ACSi/article/view/1683 |