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This is made by using a symmetry adapted basis set combining electronic (spin and orbital) and nuclear angular momenta in the reactants channel. To this aim, accurate ab initio calculations are performed separately for reactants and products. In the reactants channel, the three lowest electronic states (without spin\u2013orbit couplings) have been diabatized, and the spin\u2013orbit couplings have been introduced through a model localizing the spin\u2013orbit interactions in the N+ atom, which yields accurate results as compared to ab initio calculations, including spin\u2013orbit couplings. For the products, 11 purely adiabatic spin\u2013orbit states have been determined with ab initio calculations. The reactive rate constants thus obtained are in very good agreement with the available experimental data for several ortho-H2 fractions, assuming a thermal initial distribution of spin\u2013orbit states. The rate constants for selected spin\u2013orbit JA states are obtained, to provide a proper validation of the spin\u2013orbit effects to obtain the experimental rate constants.<\/jats:p>","DOI":"10.1063\/5.0102376","type":"journal-article","created":{"date-parts":[[2022,7,25]],"date-time":"2022-07-25T15:37:58Z","timestamp":1658763478000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":7,"title":["Spin\u2013orbit transitions in the N+(PJA3)+H2\u2192 NH+(<i>X<\/i>2\u03a0,4\u03a3\u2212) + H(2<i>S<\/i>) reaction, using adiabatic and mixed quantum-adiabatic statistical approaches"],"prefix":"10.1063","volume":"157","author":[{"given":"Susana","family":"G\u00f3mez-Carrasco","sequence":"first","affiliation":[{"name":"Facultad de Farmacia, Universidad de Salamanca 1 , Campus Miguel de Unamuno, C. Lic. 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