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"Theoretical Messenger Spectroscopy of Microsolvated Hydronium and Zundel Cations" Marcel Baer, Dominik Marx, Gerald MathiasAngew. Chem. Int. Ed. 49, 7346 –7349 (2010); Angew. Chemie 122, 7504–7507 (2010) Abstract: Water clusters revisited: The vibrational predissociation spectra of microsolvated Zundel cations has been an experimental and theoretical puzzle for more than two decades. Now it can be shown that the influence of tagging with H2 can be understood in terms of a superposition of tightly bound and weakly bound adduct species, which offers a concise interpretation of the experimental action spectra. BMO authors (in alphabetic order): Gerald Mathias  WWW-Version |