Cooperative many-body interactions and spectroscopic signatures in (HCN) n and (HNC) n clusters up to n = 15

We present a comprehensive computational investigation of hydrogen cyanide (HCN) and its higher-energy isomer, hydrogen isocyanide (HNC) clusters, from dimers to 15-mers. Clusters were generated using the PyAR automated build-up algorithm, which incrementally assembles n-mers from monomers via rando...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2026-01, Vol.28 (3), p.2227-2238
Main Authors: Sherpa, Lazumla T., Khatun, Maya, Panda, Sunanda, Anoop, Anakuthil
Format: Article
Language:English
Subjects:
Bonding strength
Clusters
Comets
Critical point
Decomposition
Electrons
Hydrogen
Hydrogen bonds
Hydrogen cyanide
Interstellar chemistry
Many body problem
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