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Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds
(Royal Soc Chemistry, Cambridge, 2013)
The CH-O interactions of pyridine with water molecules were studied by analysing the data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of the CH-O interactions in the crystal ...
Stacking interactions between hydrogen-bridged and aromatic rings: study of crystal structures and quantum chemical calculations
(Royal Soc Chemistry, Cambridge, 2017)
Geometric analysis of data from Cambridge Structural Database (CSD) reveals that contacts between planar hydrogen-bridged rings and C-6-aromatic rings are mostly parallel stacked geometries. High-level quantum chemical ...
Stacking interactions between ruthenium p-cymene complexes. Combined crystallographic and density functional study
(Royal Society of Chemistry, 2019)
The Cambridge Structural Database search for stacking interactions between p-cymene (1-methyl-4-isopropylbenzene) ligands of transition metal (mostly ruthenium) complexes revealed three preferred interaction geometries, ...
What is the preferred geometry of sulfur–disulfide interactions?
(Royal Society of Chemistry, 2020)
Non-covalent interactions between disulfide fragments and sulfur atoms were studied in crystal structures of small molecules and by quantum chemical calculations. Statistical analysis of the geometrical data from the ...