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Digitale Medien

An ab initio theoretical research on perfluorochemicals as oxygen carriers (1984)

Oikawa, Setsuko ; Tsuda, Minoru ; Nagayama, Kiyoshi

Springer

Theoretical chemistry accounts 64 (1984), S. 403-413

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Details

ISSN: 1432-2234

Schlagwort(e): Molecular interaction ; Basis set dependence of the stabilization energy ; Basis set superposition error ; Intermolecular force

Quelle: Springer Online Journal Archives 1860-2000

Thema: Chemie und Pharmazie

Notizen: Abstract In order to elucidate the nature of the interaction force effected in perfluorochemical artificial blood, the basis set dependence of the stabilization energy between a model perfluorochemical and oxygen was investigated in detail. The basis set superposition error was removed in each case. The interaction was estimated to arise from dispersion forces.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF00548950

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