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- W1133031375 abstract "1,4-Interaction in piperazine, 1,4-dioxan and 1,4-dithian are analysed in terms of through-space and through-bond contributions, reformulated in the framework of a SCF ab initio (STO 3G) treatment. Lone pair splittings in PES spectra are discussed. The analysis quoted draws attention to some of the difficulties involved in generalisation of through-bond interactions and point to the different contributions of oxygen and sulphur. Les interactions de type 1,4 ont été analysées sur la base des concepts through-bond et through-space (á travers l'espace et à travers liaisons) reformulés dans le cadre d'un traitement SCF ab initio. L'analyse effectuée a fait apparaître la difficulté d'une généralisation sur les processus d'interactions à travers liaisons et met en évidence en comportement nettement différencié entre le soufre et l'oxygéne." @default.
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- W1133031375 date "1980-01-01" @default.
- W1133031375 modified "2023-09-23" @default.
- W1133031375 title "Interactions de type 1–4 dans la piperazine, le dioxanne-1, 4, le dithianne-1,411Partie IV de ”Applications de la spectroscopie photoélectronique aux propriétés moléculaires”." @default.
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- W1133031375 doi "https://doi.org/10.1016/0040-4020(80)87006-2" @default.
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