Prototropic tautomerism of 9-methylguanine: quantum-mechanical investigation
DOI:
https://doi.org/10.15407/dopovidi2014.09.151Keywords:
9-methylguanine, prototropic tautomerismAbstract
For the first time, the full molecular-zwitterionic 9-methylguanine family has been obtained in vacuum, water, DMSO, and the ε = 4 continuum. It is shown that it consists of 14 molecular tautomers and 18 zwitterions, 9 of which are ylides.
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