A benchmark collisional dynamics of the PH3 and H2

In this study, we calculate the cross-sections and reaction rates for the PH₃ + H₂ collision process, employing a transformation from a five-dimensional potential energy surface (5D-PES) to a reduced three-dimensional PES (3D-PES). This dimensionality reduction is motivated by the need to simplify the computational treatment of the system while retaining the essential dynamics of the interaction.

 

 

Rédiger par Dr TELA

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