Phys. Chem. Chem. Phys.
 2024
DOI: 10.1039/d4cp02295e
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Theoretical infrared spectroscopy of protonated methane isotopologues

Richard Beckmann,
Christoph Schran,
Fabien Brieuc
et al.

Abstract: The vibrational spectroscopy of protonated methane and its mixed hydrogen/deuterium isotopologues remains a challenge to both experimental and computational spectroscopy due to the iconic floppiness of CH5+. Here, we compute...

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