Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Hexahydro-1,3,5-triazine, computational studies

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-... [Pg.80]

See other pages where Hexahydro-1,3,5-triazine, computational studies is mentioned: [Pg.159]   
See also in sourсe #XX -- [ Pg.77 , Pg.81 ]

See also in sourсe #XX -- [ Pg.77 , Pg.81 ]

See also in sourсe #XX -- [ Pg.77 , Pg.81 ]

See also in sourсe #XX -- [ Pg.77 , Pg.81 ]



SEARCH



Computational studies

Hexahydro-1,3,5-triazine, computational

© 2024 chempedia.info