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Micha Sowa Katarzyna
lepokura Ewa Matczak‐Jon 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(7):o262-o265
Cocrystallization of baicalein with nicotinamide yields a 1:1 cocrystal [systematic name: pyridine‐3‐carboxamide–5,6,7‐trihydroxy‐2‐phenyl‐4H‐chromen‐4‐one (1/1)], C6H6N2O·C15H10O5. The asymmetric unit contains one baicalein and one nicotinamide molecule, both in neutral forms. Molecules in the cocrystal form column motifs stabilized by an array of intermolecular hydrogen bonds. 相似文献
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Despite being size-extensive, the "second-generation" 1-matrix functionals for the electron-electron repulsion energy V(ee) yield vanishing correlation energy for the homogeneous electron gas. This failure is directly related to the idempotency condition imposed upon an auxiliary matrix that enters the expression for V(ee). In particular, the recently proposed Kollmar-Hess functional is not volume-extensive and thus is incapable of properly describing any delocalized system at its thermodynamic limit. 相似文献
97.
Urszula Koss Mariusz ?ukaszewski Katarzyna Hubkowska Andrzej Czerwi��ski 《Journal of Solid State Electrochemistry》2011,15(11-12):2477-2487
Hydrogen electrosorption into Pd-rich (>80?at.% Pd in the bulk) Pd?CRh alloys has been studied in acidic solutions (0.5?M H2SO4) using cyclic voltammetry and chronoamperometry. The influence of temperature (in the range between 283 and 328?K), electrode potential and alloy bulk composition on hydrogen electrosorption properties of Pd?CRh alloys is presented. It has been found that the additive of Rh to Pd?CRh alloys increases the maximum hydrogen solubility (for Rh bulk content below 10?at.%), decreases the potential of absorbed hydrogen oxidation peak and decreases the potential of the ???????? phase transition. Increasing temperature decreases the potential of absorbed hydrogen oxidation peak, the maximum hydrogen solubility, and the potential of the ???????? phase transition. The amounts of electrosorbed hydrogen for ??- and ??-phase boundaries, i.e., ??max and ??min, have been determined from the integration of the initial parts of current?Ctime responses in hydrogen absorption and desorption processes. The H/M ratio corresponding to ??max increases with increasing Rh content, while for ??min a maximum of H/M ratio is observed for the alloys containing ca. 95% Rh. 相似文献
98.
The lattices generated by the families of quasicontinuous and τ-quasicontinuous functions are described. 相似文献
99.
Vikram Kestens Guy Auclair Katarzyna Drozdzewska Andrea Held Gert Roebben Thomas Linsinger 《Journal of Thermal Analysis and Calorimetry》2010,99(1):245-261
In this study, the use of differential scanning calorimetry (DSC) is demonstrated as a powerful technique that can provide
accurate thermodynamic property values of environmental contaminants such as polycyclic aromatic hydrocarbons (PAHs). In total,
47 high purity PAH certified reference materials were selected and analysed by DSC. Their onset melting temperature, enthalpy
of fusion and eutectic purity were calculated from the obtained melting endotherms. In addition, the entropy of fusion, which
was calculated from the onset melting temperature and enthalpy of fusion, is presented. All measurements were evaluated in
a metrologically rigorous manner, including measurement uncertainties. 相似文献