Application of ab initio molecular dynamics for a priori elucidation of the mechanism in unimolecular decomposition: the case of 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO).

Source:http://linkedlifedata.com/resource/pubmed/id/11456870

J. Am. Chem. Soc. 2001 Mar 14 123 10 2243-50

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11456870