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- W331324158 abstract "The authors carry out a comparative quantum chemical analysis of the electronic structure of an ethoxy grouping on the surface of high-silicon zeolites and in ethylsulfuric acid in the framework of the nonempirical SCF-MO-LCAO method in the STO-3G basis and the semiempirical CNDO/2 method. The common features and differences in the properties of this grouping are discussed. It is shown that the electronic structure of the ethyl fragment differs significantly from that of the classical C/sub 2/H/sub 3//sup +/ carbocation." @default.
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- W331324158 date "1986-03-01" @default.
- W331324158 modified "2023-09-28" @default.
- W331324158 title "Comparative quantum-chemical analysis of the electronic structure of the ethyl fragment in ethylsulfuric acid and in an ethoxy structure on the surface of a high-silicon zeolite" @default.
- W331324158 hasPublicationYear "1986" @default.
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