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Reaction dynamics vector potentials

A careful restructuring of a quasiclassical trajectory code and the adoption of a polynomial representation of the potential energy has made it possible to take profit from both vector and parallel features of the IBM 3090/200 VF supercomputer to perform extended calculations of the reactivity of some alkali/alkaline earth -f- hydrogen halide systems. Thanks to the reduction of the needed cpu time it has thus been possible to examine in detail the dynamics of these reactions. In particular, it has been possible to improve ab initio potential... [Pg.390]

See other pages where Reaction dynamics vector potentials is mentioned: [Pg.44]    [Pg.186]    [Pg.82]    [Pg.148]    [Pg.290]    [Pg.258]    [Pg.342]    [Pg.148]    [Pg.182]    [Pg.290]    [Pg.534]    [Pg.6]    [Pg.960]    [Pg.199]    [Pg.1298]    [Pg.103]    [Pg.195]    [Pg.214]    [Pg.514]    [Pg.187]    [Pg.28]    [Pg.221]    [Pg.73]    [Pg.327]    [Pg.495]    [Pg.93]    [Pg.1298]    [Pg.53]    [Pg.777]    [Pg.157]    [Pg.665]    [Pg.202]    [Pg.64]    [Pg.15]    [Pg.42]    [Pg.18]    [Pg.145]    [Pg.799]    [Pg.2433]    [Pg.3058]   
See also in sourсe #XX -- [ Pg.18 , Pg.19 , Pg.20 , Pg.21 ]



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Reaction vector

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