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Creators/Authors contains: "Paudel, Hari Ram"

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  1. ; ; (, Organic & Biomolecular Chemistry)
    null (Ed.)
    σ-Hole bonding interactions ( e.g. , tetrel, pnictogen, chalcogen, and halogen bonding) can polarize π-electrons to enhance cyclic [4 n ] π-electron delocalization ( i.e. , antiaromaticity gain) or cyclic [4 n + 2] π-electron delocalization ( i.e. , aromaticity gain). Examples based on the ketocyclopolyenes: cyclopentadienone, tropone, and planar cyclononatetraenone are presented. Recognizing this relationship has implications, for example, for tuning the electronic properties of fulvene-based π-conjugated systems such as 9-fluorenone. 
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  2. ; ; ; (, Organic & Biomolecular Chemistry)
    null (Ed.)
    Computed association strengths for 43 purine and pteridine quartets (38 to 100 kcal mol −1 ) show excellent linear correlation with π-conjugation gain in the assembled monomers ( r 2 = 0.965). Even quartets having the same secondary electrostatic interactions can display very different association strengths depending on the π-conjugation patterns of the monomeric units. 
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