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Data · dataset · 2026

Formation of Carbon Monophosphide (CP+) and SilicoFormation of Carbon Monophosphide (CP+) and Silicon Monophosphide (SiP+) Cations by Radiative Associationn Monophosphide (SiP+) Cations by Radiative Association

Listed in Teesside University Research Data Repository

Description

This dataset contains the original numerical data supporting the study "Formation of Carbon Monophosphide (CP+) and Silicon Monophosphide (SiP+) Cations by Radiative Association." The data were used to calculate potential-energy curves (PECs), permanent and electronic transition dipole-moment functions, spectroscopic constants, radiative-association cross sections, and temperature-dependent rate coefficients for CP+ and SiP+ molecular cations.

The package contains seven data files. The CP+ files provide PEC and transition-dipole data, spectroscopic-constant data, and radiative-association cross sections and rate coefficients. The SiP+ files provide PECs and spectroscopic-constant data, permanent and transition dipole-moment data, and radiative-association cross sections and rate coefficients.

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The dipole-moment workbook retains the triplet and quintet calculation records together with the numerical functions used for plotting and rate calculations. The spectroscopic-constant document provides tabulated state labels, Te, omega_e, omega_e x_e, Be, Re, De, and source/reference information. Collision energies are reported in eV, cross sections in a0^2, rate coefficients in cm3 s-1, internuclear distances in Angstrom or A as indicated in the source workbooks, energy quantities in cm-1, and dipole moments in atomic units.

The original worksheet names, state labels, transition labels, numerical precision, and calculated totals have been retained to preserve data provenance. No numerical values were recalculated, rounded, or altered during preparation of this package. The electronic-structure data were generated using the computational methodology described in the associated manuscript.

Radiative-association cross sections and thermal rate coefficients were obtained from the reported PECs and transition dipole-moment functions. The complete definitions of electronic states, statistical factors, units, and analytical conventions are given in the associated manuscript and ReadMe file. These data are original computational results and are intended to support reproduction, validation, and further analysis of the reported calculations.

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Provenance · 1 source records, 6 field assertions
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Teesside University Research Data Repositoryoai:data.mendeley.com/vwrxwnyds7.117 h agoJSON v1
FieldAssertionExtractorEvidence
access_levelsource · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0
concepts[field].local:field:earth-environmentalmapping · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0
descriptionsource · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0/metadata/dc/description
licensesource · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0/metadata/dc/rights
publication_datesource · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0
titlesource · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0/metadata/dc/title