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- W2001412294 abstract "Abstract Ab initio molecular orbital calculations on fluoro- and chloro-methanes, CH4—nXn, predict the correct trends in the photoelectron spectra except in the case of the C(2s) bands of fluoromethanes. Thus, the calculated energies corresponding to the lone pair, σ (CX) and C(1s) bands increase with increasing n as found experimentally; the C(2s) energy in chloromethanes decreases with increasing n, again, in agreement with experiment." @default.
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- W2001412294 date "1982-03-01" @default.
- W2001412294 modified "2023-09-26" @default.
- W2001412294 title "An Ab initio molecular orbital study of the systematics in the photoelectron spectra of halomethanes" @default.
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- W2001412294 doi "https://doi.org/10.1016/0166-1280(82)80011-0" @default.
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