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MS ‐ X α calculations of the electron affinities and ionization potentials of some heavy metals and their hydrides and fluorides
Author(s) -
Preston Harry J. T.,
Kaufman Joyce J.
Publication year - 1977
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560120306
Subject(s) - electron affinity (data page) , diatomic molecule , chemistry , ion , affinities , ionization , transition metal , atomic physics , ionization energy , metal , electron , heavy ion , spin (aerodynamics) , inorganic chemistry , chemical physics , molecule , catalysis , thermodynamics , nuclear physics , stereochemistry , physics , biochemistry , organic chemistry
MS ‐ X α calculations have been performed for the neutral species and the transition states for the positive and negative ions of the heavy metal atoms Mo, W, Re, Ir, Pt, and U and their diatomic hydrides and fluorides. Both nonspin‐polarized and spin‐polarized calculations were performed. The main purpose of this study was to gain insight into which negative ion species might be preferable to try to prepare for use in ion sources for tandem accelerators.