Quantum Methods for Noncovalent Bonding, Spectroscopy and Helium Systems
This community investigates the electronic structure, intermolecular forces, and dynamic behavior of molecules and clusters, with a specific focus on noncovalent interactions such as hydrogen, halogen, and chalcogen bonding, as well as the unique properties of helium in superfluid and droplet states.
The work centers on computational and experimental characterization of molecular interactions. Recurring themes include the application of density functional theory and coupled cluster methods to model electronic states and bonding energies. Significant attention is given to the spectroscopic analysis of gas-phase species, utilizing infrared, rotational, and photoelectron techniques. A distinct strand of research examines helium nanodroplets and superfluid helium, often in the context of heat transfer and neutron scattering. The community also extensively studies the formation and stability of molecular clusters and complexes, particularly those involving noble gases, water, and carbon dioxide, using mass spectrometry and molecular dynamics simulations to understand their structural and energetic properties.
The largest share of the community's output is found in helium research, accounting for 16.8% of all helium research, and 9,217 papers here. This is followed by argon, which represents 13.9% of argon research with 4,228 papers, and neon, which accounts for 15.1% of neon research with 1,607 papers.
The community comprises 71,757 papers, publishing most frequently in The Journal of Chemical Physics, Journal of Molecular Spectroscopy, and Chemical Physics Letters.
Recent work continues to refine the understanding of noncovalent interactions, with studies on chalcogen bonding catalysis, hydrogen bond benchmarks, and the role of noncovalent forces in biological adhesion. Concurrently, research on helium systems focuses on cryogenic applications and the structural properties of small water clusters using advanced density functional and coupled cluster chemistries.