ArticleThe journal of physical chemistry letters2026
Importance of Monomer-Flexibility Effects for Spectra of Molecular Clusters.
Article in The journal of physical chemistry letters, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
A global full-dimensional description of interactions in a molecular van der Waals cluster, including both inter and intramolecular degrees of freedom, may seem to be the necessary starting point for high-accuracy nuclear dynamics calculations. Such calculations are currently able to make predictions for clusters, molecular collisions, and condensed phases accurate enough to be confronted with experiment. However, the all-dimensional treatment becomes prohibitively expensive for clusters with more than 6 atoms due to the "curse of dimensionality". On the other hand, the rigid-monomer approximation allows applications to much larger clusters. We show on the example of H
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