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Molecular systems subsystem resolution

The theory of molecular interactions, and the theory of chemical reactivity in particular, deal with reactive systems consisting of complementary subsystems. One of major goals of the quantum chemistry is to determine various effects of their interaction, both intra- and inter-subsystem in cheu acter, emd how they influence the ultimate reactivity trends. This can be studied, e.g., using the semi-empirically parametrized CSA in the atomic resolution. Its first-principle, local formulation in DFT... [Pg.266]

See other pages where Molecular systems subsystem resolution is mentioned: [Pg.179]    [Pg.3]    [Pg.176]    [Pg.117]    [Pg.144]    [Pg.275]    [Pg.59]    [Pg.132]    [Pg.153]    [Pg.48]    [Pg.299]    [Pg.326]    [Pg.164]    [Pg.401]   
See also in sourсe #XX -- [ Pg.268 , Pg.269 , Pg.270 , Pg.271 , Pg.272 , Pg.273 ]



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Molecular resolution

Molecular system subsystem

Subsystem

System resolution

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