High-level ab initio quartic force fields and spectroscopic characterization of C 2 N −
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Autori:
C. M. R. Rocha, H. Linnartz
Pubblicato in:
Physical Chemistry Chemical Physics, 2021, ISSN 1463-9076
Editore:
Royal Society of Chemistry
DOI:
10.1039/d1cp03505c
Theoretical studies of carbon isotopic fractionation in reactions of C with C2: dynamics, kinetics, and isotopologue equilibria
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Autori:
C. M. R. Rocha, H. Linnartz
Pubblicato in:
Astronomy & Astrophysics, 2021, ISSN 0004-6361
Editore:
Springer Verlag
DOI:
10.1051/0004-6361/202040093
Reconciling spectroscopy with dynamics in global potential energy surfaces: The case of the astrophysically relevant SiC2
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Autori:
C. M. R. Rocha, H. Linnartz, A. J. C. Varandas
Pubblicato in:
The Journal of Chemical Physics, Numero 00219606, 2022, Pagina/e 104301, ISSN 0021-9606
Editore:
American Institute of Physics
DOI:
10.1063/5.0096364