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April 22, 2024The Journal of Chemical PhysicsOpen Access

HCl trimer: HCl-stretch excited intramolecular and intermolecular vibrational states from 12D fully coupled quantum calculations employing contracted intra- and inter-molecular bases

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ISIrén SimkóSimons FoundationPFPéter FelkerObuda UniversityZBZlatko BačićNew York University Shanghai

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Simkó et al. (2024) studied this question.

synapsesocial.com/papers/68e6e1ccb6db64358765cc38https://doi.org/10.1063/5.0207366
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  1. 1HCl trimer: HCl-stretch excited intramolecular and intermolecular vibrational states from 12D fully coupled quantum calculations employing contracted intra- and intermolecular bases2024
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  3. 3Hydrogen-bonded molecular trimers: Vibration-tunneling states and low-frequency spectra from rigorous high-dimensional quantum calculations2026
  4. 4HF trimer: A new full-dimensional potential energy surface and rigorous 12D quantum calculations of vibrational states2024
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