On the origin of the dynamical differences on the diatomics‐in‐molecules and spline‐fittedabinitiosurfaces for the He+H2+reaction
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.435355
Reference18 articles.
1. Concepts in reaction dynamics
2. Effect of curvature of the reaction path on dynamic effects in endothermic chemical reactions and product energies in exothermic reactions
3. Nonempirical LCAO–MO–SCF Study of the Energy Surface for Linear HeH2+
4. Potential surface dependence of vibrationally inelastic collisions between He and H2
5. Reactive scattering calculations on a splinefitted ab initio surface: The He+H+2(v=0,1,2) →HeH++H reaction
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1. Coupled three-dimensional quantum mechanical wave packet study of proton transfer in H2+ + He collisions on accurate ab initio two-state diabatic potential energy surfaces;The Journal of Chemical Physics;2023-07-17
2. Beyond Born–Oppenheimer Constructed Diabatic Potential Energy Surfaces for HeH2+;The Journal of Physical Chemistry A;2023-04-25
3. HeH2+: structure and dynamics;International Reviews in Physical Chemistry;2022-01-02
4. The electronic structure of HeH+2;International Journal of Quantum Chemistry;2009-06-18
5. Time-dependent quantum mechanical wave packet study of the He+H2+(v,j)→HeH++H reaction;The Journal of Chemical Physics;2005-02
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