Tautomerism of 5-Methyl Imidazolidine Thio Derivatives in the Gas Phase: A Density Functional Study
Relative tautomerisation energies, enthalpies, entropies, Gibbs free energies, and dipole moments for 5-methyl-2,4-dioxo-imidazolidine and its thio analogous have been studied in the gas phase using hybrid density functional at the B3LYP level of theory using 6-31(d) and 6-311+(2df,2p) basis sets wi...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2008-01-01
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| Series: | E-Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2008/135890 |
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