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• W1992964431 abstract "The product rotational polarization is reported using the quasiclassical trajectory method for the photoinitiated bimolecular reaction A+BC→AB+C. The model takes the form of a 3D quasiclassical trajectory study of a hypothetical exothermic reaction employing combinations of (a): three different potential energy surfaces (attractive, mixed and repulsive), (b): three markedly different reagent mass combinations (H+HL, H+LL and H+HH, where L≡1 amu and H≡80 amu). Four PDDCSs (2π/σ) (dσ00/dωt), (2π/σ) (dσ20/dωt), (2π/σ) (dσ22+/dωt), and (2π/σ) (dσ21−/dωt) which are usually sensitive to many photoinitiated bimolecular reaction experiments are presented. Furthermore, the distribution of dihedral angle P(φr) and the distribution of angle between K and J′ P(θr) are discussed. Moreover, the angular distribution of product rotational vectors in the form of polar plots in θr and φr is calculated." @default.
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• W1992964431 date "1998-10-01" @default.
• W1992964431 modified "2023-10-17" @default.
• W1992964431 title "Product rotational polarization in the photoinitiated bimolecular reaction A+BC→AB+C on attractive, mixed and repulsive surfaces" @default.
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• W1992964431 doi "https://doi.org/10.1063/1.476522" @default.
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