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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Reactive Scattering for H- + H_2 and H++ H_2 and Its Isotopologues: Classical Versus Quantum Investigation

Reactive Scattering for H- + H_2 and H++ H_2 and Its Isotopologues: Classical Versus Quantum Investigation

Wang, Dequan

Paperback

ChemistryGeneral ComputersGeneral Mathematics

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ISBN10: 3832542957
ISBN13: 9783832542955
Publisher: Logos Verlag Berlin
Published: Jul 15 2016
Pages: 139
Weight: 0.40
Height: 0.48 Width: 5.68 Depth: 8.04
Language: English
The reactive scattering for H- + H_2 and H+ + H_2 and its isotopologues were investigated using different methods. The studies aimed at providing insights into elementary reactions, and go beyond these to more complexchemical reactions. By comparison of the reaction probabilities of H+ + H_2 using adiabatic and non-adiabatic methods, it was found that, at low collision energies, the reaction preferentially occurs adiabatically, but at higher collision energies non-adiabatic effects should be taken into account. For H- + H_2 and its isotopologues, we can see that, at low collision energies, the reaction probabilities and reaction cross section using SM-PES and AY-PES are very similar but different from PS-PES. The reaction cross sections investigated with quasi-classical trajectoriesare higher than those calculated with quantum wavepackets. For the collision H- and D- with HD, the main reaction path ways are different with the different collision energies.

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