Theoretical studies of rotational and spin–orbit predissociation of the Ne·XH ( 2Π, X = O,S) van der Waals complexes.
Literature Information
Hee-Seung Lee, Anne B. McCoy
The rotational and spin–orbit predissociation dynamics of Ne·XH ( 2Π, X = O,S) complexes is investigated using the stabilization method of Mandelshtam et al. (Phys. Rev. A, 1994, 50, 2764) with ab initio potential surfaces. The calculations show large variations in the lifetimes of the Ne·XH complexes within narrow energy ranges. In particular, we found that the calculated lifetimes displayed strong dependencies on the parity of the state and on the projection of the angular momentum onto the internuclear axis. Comparisons with available experimental resonance energies and lifetimes are made and the results are found to be in good agreement.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.












![2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-1,3-propanediol structure 2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-1,3-propanediol structure](https://static.chemtradehub.com/structs/222/222723-55-9-0348.webp)

