The sum rule, an assignment tool?
作者： D.M. de Leeuw , C.A. de Lange
DOI: 10.1016/0301-0104(81)85053-7
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摘要: Abstract Scope and limitations of the sum rule as an aid in interpretation UV photoelectron spectra, particular molecules which possess a plane symmetry, are discussed. Approximations inherent use considered. For judicious choice fragments from molecule is thought to be composed, complications due inductive effects can largely avoided. Using this approach treating energies doubly occupied orbitals localized on semi-empirical parameters it shown that constitutes valuable additional assignment tool spectra.
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