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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Comparisons > Energy > Similar molecules > Sets of tautomers | |
| formula | sketch | Energy (kJ mol-1) | Name | difference | |||
|---|---|---|---|---|---|---|---|
| A | B | calculated | experiment | A | B | ||
| C3H4 | ![]() |
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-2 | -7 | allene | propyne | 4 |
| C3H6O | ![]() |
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-107 | -110 | Oxetane | Propanal | 3 |
| C4H8 | ![]() |
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-41 | -33 | cyclobutane | 1-Butene | -9 |





