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Spin-pairing conical intersection location

Conical intersections are important in molecular photochemistry, according to the current consensus, which is based on the combination of experimental and theoretical data. In this chapter, we tried to show that the location and approximate structure of conical intersections may be deduced by simple considerations of the changes in spin-pairing accompanying a reaction. We have also shown how these ideas may be put to practical computational application. [Pg.387]


See other pages where Spin-pairing conical intersection location is mentioned: [Pg.358]    [Pg.386]    [Pg.387]    [Pg.464]    [Pg.492]    [Pg.493]    [Pg.464]    [Pg.492]    [Pg.493]   
See also in sourсe #XX -- [ Pg.492 ]

See also in sourсe #XX -- [ Pg.492 ]




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Conical intersection

Conical intersection location

Conical intersections pairing

Conicity

Intersect

Paired spins

Spin pairs

Spin-pairing

Spin-pairing conical intersection

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