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Theoretical investigation of rare gas hydride cations: HRgN2+ (Rg=He, Ar, Kr, and Xe)

โœ Scribed by Jayasekharan, T.; Ghanty, T. K.


Book ID
115506268
Publisher
American Institute of Physics
Year
2012
Tongue
English
Weight
570 KB
Volume
136
Category
Article
ISSN
0021-9606

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Cationic noble gas hydrides-2: A theoret
โœ Stefano Borocci; Maria Giordani; Felice Grandinetti ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier ๐ŸŒ English โš– 681 KB

The linear, centrosymmetric HNgHNgH + (Ng = Ar, Kr, Xe) were characterized as true energy minima at the MP2, CCSD(T), and B3LYP levels of theory. The optimized geometries, atomic charges, AIM bond topologies, and harmonic frequencies point to ion-dipole complexes between a hydride anion and two cova