Hexahydro-1,3,5-triazine, computational

SA(A)1011]. Static dipole polarizabilities were computed up to the MP4(SDQ) level [94MP557]. A study of the electronic structure of the 2 and 3 states of 192 showed that inclusion of dynamic electron correlation effects is very important [98JPC(A)8021]. The multiplicity of the 13.5-triazine dication is predicted to be a high-spin triplet while the trication is most likely a doublet. In hexahydro-... 

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