Non-covalent interactions (NCIs) are fundamental in many fields and understanding them plays a key role in research areas as diverse as molecular biology, drug design or supramolecular chemistry. Thus, studies of isolated systems in the gas-phase have emerged as a powerful strategy to determine the type of NCIs involved within these systems and their relevance in dictating the structural arrangement of the cluster components. In the last years, recent advances in experimental techniques such as molecular spectroscopy and mass spectrometry, have led to the assignment of spectra of continuously increasingly larger oligomers.

Determining the critical size for the emergence of bulk properties also requires theoretical calculations, such as density functional theory and molecular dynamics simulations. The synergy between computational and experimental tools can help elucidate the structural, electronic, and thermodynamic changes that occur as clusters grow.

This Research Topic aims not just to be a repository of current knowledge but to foster a synergy between complementary spectroscopic methodologies to unlock the secrets of molecular clustering. Thus, gathering articles that encompass studies of clusters ranging in size from dimers to nanoclusters and give structural and spectroscopic information is of utmost importance. By doing so, we hope to further understand the transition from gas-phase clusters to bulk-like properties which represents a fascinating area of research and has implications for nanotechnology, catalysis, and materials science.

We welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to:

• Influence of chirality on molecular cluster formation

• The role of non-covalent interactions in molecular aggregation/ or in weakly bound complexes

• Modelling the formation and growth of atmospheric molecular clusters/ Computational and spectroscopic studies of clusters of atmospheric relevance

• Gas-phase cluster dynamics

• Microsolvation clusters

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Frontiers in Chemistry

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