| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5414982 | Journal of Molecular Spectroscopy | 2012 | 8 Pages |
Abstract
⺠The 6D PES of HCNH+ was generated using CCSD(T)-F12A approach. ⺠Full-dimensional variational computations were performed. ⺠The fundamental modes are computed in close agreement with the experimental data. ⺠Relevant predictions are reported for the isotopologues. ⺠The rotational spectra are simulated for temperatures relevant for astrophysics.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Vincent Brites, Laurent Jutier,