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The Cl−NH3, Cl−H2O, F−NH3 and F−H2O clusters and their photoelectron spectra (1994)

Kaldor, Uzi

Springer

The European physical journal 31 (1994), S. 279-282

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ISSN: 1434-6079

Keywords: 36.40. + d ; 31.20.Tz ; 33.60.Cv

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: Abstract The geometries of the Cl−NH3, Cl−H2O, F−NH3 and F−H2O clusters are optimized using the coupled cluster method. The four lowest ionization potentials are then calculated, leading to the ground and low excited states of the neutral species. The first three IPs describe ionization from the externalp state of the halogen atom, whereas the fourth corresponds to ionization from the NH3 or H2O moiety, leading to charge transfer complexes. These complexes were recently observed in the photoelectron spectrum of Cl−NH3, in full accord with our calculations.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF01445007

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