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Showing 1 to 4 of 4 for “"Hirshfeld surface"”.
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Carbon-carbon bond formation methods for the preparation of shape-persistent architectures
… in the absence of inversion symmetry. Hirshfeld surface analysis of these crystalline materials demonstrates that subtle intermolecular interactions are responsible for the overall packing motifs in this class of compounds.
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Halogen···Halogen interactions in host - guest systems
… pyridines as guests. IR spectroscopy and Hirshfeld surface analysis were utilised for further characterisation of these inclusion compounds. The synthesis of halogenated Werner clathrates containing Cl-, Br- and I- in Chapter 7, was conducted with various guests of substituted pyridines. …
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Molecular selectivity by host-guest methods
… analysis (TGA, DSC), kinetics of desolvation, Hirshfeld surface analysis, and activation energy of desolvation-analysis techniques. During the separation of the trimethoxybenzene (TMB) isomers, cholic acid and deoxycholic acid' hosts were used in chapter 3. It was found that each host separated …
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Μελέτη διαμοριακών αλληλεπιδράσεων στην κρυσταλλική δομή οργανικών ενώσεων και μεταλλικών συμπλόκων με τη μέθοδο Hirshfeld
… Η μελέτη αυτή έγινε με τη χρήση των Επιφανειών Hirshfeld, ενός νέου εργαλείου για την εξέταση των διαμοριακών αλληλεπιδράσεων, όπως εφαρμόζονται στο πρόγραμμα CrystalExplorer. Αναπτύχθηκε ένας απλός και δομημένος τρόπος διερεύνησης των διαμοριακών αλληλεπιδράσεων που είναι υπεύθυνες για τη …