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Reactive systems RRKM

Static (PES) and kinetic (RRKM) information can be complemented by chemical dynamics simulations, which are able to fill some aspects of gas phase reactivity not considered by the previous approaches. In particular, chemical dynamics can be used to model explicitly the collision between the ion and the target atom and thus it is possible to obtain the energy transferred in the collision and (eventually) the reactions. The molecular system, represented as an ensemble of atoms each bearing a mass i evolves on the Bom-Oppenheimer potential energy surface through Newton s equation of motirais ... [Pg.136]


See other pages where Reactive systems RRKM is mentioned: [Pg.1011]    [Pg.220]    [Pg.222]    [Pg.1011]    [Pg.305]    [Pg.32]    [Pg.4]    [Pg.500]    [Pg.32]    [Pg.32]    [Pg.148]    [Pg.112]    [Pg.134]    [Pg.140]    [Pg.141]    [Pg.141]    [Pg.4]   
See also in sourсe #XX -- [ Pg.142 ]




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RRKM

Reactive system

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