Proton Transfer in Ionic Hydrogen Bonds

Correlated electronic structure calculations, coupled with atoms in molecules analysis, have been employed in a study of proton transfer in ionic hydrogen bonds. The isoelectronic series FHF-, H3O2 -, H5O2 +, and N2H7 + are used as models for such processes. Calculations at the MP2/6-311++G** level...

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Veröffentlicht in:	Journal of physical chemistry (1952) 1996-08, Vol.100 (32), p.13455-13461
Hauptverfasser:	Platts, James A, Laidig, Keith E
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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