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Crystallographic and ab Initio Study of Pyridine Stacking Interactions. Local Nature of Hydrogen Bond Effect in Stacking Interactions
(American Chemical Society (ACS), 2012)
Stacking interactions between pyridine molecules and the influence of simultaneous hydrogen bonds were studied by analyzing data in the Cambridge Structural Database (CSD) and by ab initio calculations. The results show ...
Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, even at Large Horizontal Displacements
(American Chemical Society (ACS), 2016)
Stacking interactions between two benzene molecules that coordinate transition metal ions within organometallic sandwich and half-sandwich compounds were investigated by performing Cambridge Structural Database (CSD) search ...
Stacking Interactions between Square-Planar Metal Complexes with 2,2'-Bipyridine Ligands. Analysis of Crystal Structures and Quantum Chemical Calculations
(American Chemical Society (ACS), 2014)
Stacking interactions between square-planar metal complexes containing bipyridine ligands (bipy) were studied by analyzing data in the Cambridge Structural Database (CSD) and by density functional theory (DFT) calculations. ...
C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study
(American Chemical Society (ACS), 2016)
C-H/O interactions of aromatic C-H donors within proteins have been studied by analyzing the data in the Protein Data Bank (PDB). The C-H/O interactions were studied between aromatic donors; phenylalanine, tyrosine, and ...
Preferred Geometries and Energies of Sulfur Sulfur Interactions in Crystal Structures
(American Chemical Society (ACS), 2016)
It has been demonstrated that sulfur sulfur interactions can exist in various molecular systems. In this work we investigated sulfur-sulfur interactions in crystal structures of small molecules by analyzing geometric data ...