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Tautomer energy comparison

using model chemistry: LSDA/6-31G

17 10 12 10 46
formula sketch Energy (kJ mol-1) Name difference
A B calculated experiment A B
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -4 -17 1,2-Butadiene 2-Butyne 13
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -86 -82 1-Methylcyclopropene 1,2-Butadiene -4
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 58 42 Methylenecyclopropane 1-Methylcyclopropene 17
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- 4 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- 0
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 44 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 19
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 58 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -6
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -18 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- 11
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -17 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -12