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- W2009200218 abstract "Two generalized interpretations of the high-energy band (HEB) within the photoelectron spectras (PES) of alkanes, usually referred to as the C2s band, have been suggested. The quantum chemical one consists of attributing to the HEB of any alkane (CnH2n+2) the chain of n similiar orbitals ηk (k = 1…n), each of them containing mainly one 2sc AO and some contributions of another four orbitals from its nearest environment. The structure of each orbital ηk has been shown to be similar to that of the lowest totally symmetric MO of methane. The chemical interpretation of the same band involves relating it and the definite subspectrum of the full chemical graph of alkane, associated mainly with its C skeleton. The interrelation of these two complementary interpretations follows from the one-to-one correspondence between the orbitals ηk and the CH2(CH3) groups in alkane. © 1995 John Wiley & Sons, Inc." @default.
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- W2009200218 date "1995-01-15" @default.
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- W2009200218 title "Interpretation of the high-energy band within the photoelectro spectra of alkanes both in terms of appropriate orbitals and on the basis of chemical structure" @default.
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- W2009200218 doi "https://doi.org/10.1002/qua.560530209" @default.
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