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Data · dataset · 2022

State-to-state Integral Cross Sections and Rate Constants for the N+(3P) + HD(v0 = 0, j0 = 0) → NH+/ND+ + D/H Reaction

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The reactive collisions of nitrogen ion with hydrogen and its isotopic variations have great significance in the field of astrophysics.

Description

Herein, the state-to-state quantum time-dependent wave packet calculations of the N+(3P) + HD(v0 = 0, j0 = 0) → NH+/ND+ + D/H reaction are carried out based on the recently developed potential energy surface [Phys. Chem.

Chem. Phys., 2019, 21, 22203]. The integral cross sections (ICSs) and rate coefficients of both channels are precisely determined at the state-to-state level.

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This dataset contains two Excel files, which are described below:Integral cross section.csv: the total and vibrational state-resolved ICSs (10-16 cm2) of the both products of the title reaction in the range of 0.02 - 0.4 eV.Rate coefficients.csv: the rotational state-resolved rate coefficients (cm3 s-1) of the dominant vibrational states (v' = 0) for the two products of the title reaction in the temperature range 10 - 2000K.

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Inferred from text
Nuclear and plasma physics 74%
Provenance · 1 source records, 12 field assertions
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ScienceDB10.57760/sciencedb.j00113.0003411 d agoJSON v1
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