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Capture of an atom by an argon cluster: Atomistic simulation

โœ Scribed by D. Yu. Dubov

Book ID
110169872
Publisher
SP MAIK Nauka/Interperiodica
Year
2012
Tongue
English
Weight
197 KB
Volume
94
Category
Article
ISSN
0021-3640

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๐Ÿ“œ SIMILAR VOLUMES

Complexes of an argon atom with linear c
Complexes of an argon atom with linear cations: results of coupled cluster calculations
โœ P. Botschwina; R. Oswald ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 276 KB

Large-scale coupled cluster calculations have been carried out for complexes between an argon atom and four different linear cations (HCNH รพ , HC 3 NH รพ , HCCH รพ , and HC 4 H รพ ). The two former closed-shell species have hydrogen-bonded linear forms, with nitrogen acting as proton donor, as the ener

Complexes of an argon atom with the line
Complexes of an argon atom with the linear anions HCCโˆ’ and HC4โˆ’: results of coupled cluster calculations
โœ P. Botschwina; R. Oswald ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 347 KB

Large-scale coupled cluster calculations have been carried out for the complexes of an argon atom with the linear anions HCC ร€ and HC ร€ 4 . In both cases, almost T-shaped structures are energetically favoured. Their equilibrium dissociation energies (D e ) are predicted to be 501(5) and 507(5) cm ร€1