Weak interactions of molecular hydrogen clusters: Novel 1D, 2D, 3D building blocks for ultracold H2 phases

Standard density functional theoretic and natural bond orbital analysis methods are employed to explore structural and energetic trends in the unexplored domain of ultraweak intermolecular interactions of H2. The structural motifs of optimized (H2)n clusters are found to differ appreciably from thos...

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Bibliographic Details
Main Author: Frank Weinhold
Format: Article
Language:English
Published: AIP Publishing LLC 2025-04-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0263339
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