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The energetics of placing carboxyl and phenolic groups at the periphery of a graphene sheet are studied using density functional theory (B3LYP) with a 6-31G∗ basis set, augmented with diffuse functions on oxygen atoms. Individually both COOH and OH have the same preference for the corner sites, but in presence of COOH the smaller OH group opts for its second preference, the zigzag sites, leaving corner...
Hydrogen bonds in small chain alcohol-alcohol binary systems alter the dielectric permittivity of the binary system. With a view to obtain a better understanding of the interactions in such systems, the complex permittivity spectra of mixtures of methanol (ME) with 1propanol (1PR) and 1butanol (1BU) have been measured in the frequency range 10 MHz to 20 GHz using time domain reflectometry at 288 K,...
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