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Open access Sep 2026

Quasi-Quantum and Full Quantum Treatments of Rotationally Inelastic CO( X 1 Σ + )-He Scattering—Invited Paper for Atomic and Molecular Physics Data

Understanding energy transfer in atom-molecule interactions is essential for exploring and controlling molecular reaction dynamics. In this work, an ab initio potential energy surface for the CO( X 1 Σ + )-He system was calculated at the coupled-cluster singles, doubles, and perturbative triples level, CCSD(...

Yi-Pin Hu, Di Liu, Qing-Hui Wei et al. · 0 citations
Oct 2026

Temperature-dependent UV photodissociation cross sections and rates of CH.

CH+ is an important reactive molecular ion in the interstellar medium with photodissociation properties that are essential for understanding its formation and destruction in UV-irradiated environments. In this work, high-level MRCI+Q calculations were performed for 18 singlet and triplet states correlating with the six...

Di Liu, Qing-Hui Wei, Hans Ågren et al. · 0 citations
Sep 2026

Zinc-Group Element-Stabilized Boron Analogues of Cyclopropenyl Cation Featuring π Aromaticity

Planar boron clusters often display π-bonding patterns analogous to those found in aromatic hydrocarbons, making them intriguing inorganic counterparts of classical hydrocarbon systems. Herein, we report zinc-group element-stabilized boron analogues of the cyclopropenyl cation (C3H3+), formulated as M3B3+ (M = Zn, Cd...

Xiao-Han Yin, Yu-Le Dou, Bing Yan et al. · 0 citations

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