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- W2037665754 abstract "Ab initio many-body calculations done using the outer valence Green function approach, which incorporates the main portion of electron correlation and reorganization effects, are reported for the vertical ionization potentials of adamantane, l-bora-, l-aza-, 1,3-diaza-, 1,3,5-triaza-, 1,3,5,7-tetraaza-, 1,3,5,7-tetrasila-, 1-phospha-adamantane, and 1-phosphaadamantane oxide. The results give an overall, consistent reproduction of the main features in the photo-electron spectra, in particular of the n bands, which are efficient monitors of the stereoelectronic effects operating in these molecules." @default.
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- W2037665754 title "A Green's function ab initio study of the outer valence ionization potentials of adamantane and hetero derivatives" @default.
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- W2037665754 doi "https://doi.org/10.1016/0166-1280(94)04097-c" @default.
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