Katarzyna N Jarzembska

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A comprehensive analysis of various properties derived from multiple high-resolution X-ray diffraction experiments is reported. A total of 13 charge-density-quality data sets of α-oxalic acid(More)
Accurate and fast evaluation of electrostatic interactions in molecular systems is one of the most challenging tasks in the rapidly advancing field of macromolecular chemistry and drug design.(More)
A summary of the evidence based on spectroscopy, calculated density of states (DOS) and photo-electrochemistry, for electron transfer from the occupied Fe(2+) (d)-β orbital located within the band(More)