نتایج جستجو برای: noncovalent interactions
تعداد نتایج: 389161 فیلتر نتایج به سال:
A sequence-controlled supramolecular copolymer was constructed by self-sorting assembly of metal coordination and two types host–guest interactions.
Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions
Due to their environmentally friendly nature and high energy density, direct ethanol fuel cells have attracted extensive research attention in recent decades. However, the actual Faraday efficiency of oxidation reaction (EOR) is much lower than its theoretical value kinetics EOR sluggish due insufficient active sites on electrocatalyst surface. Pt/C recognized as one most promising electrocatal...
Analysis of pH and cosolvent effects on protein structure is a popular study in food biophysics research since the function primarily dependent its structure. The structure-function relationship could be well reflected changes non-covalent interactions protein. In this aspect, present work deals with Fourier transform infrared (FT-IR) spectroscopy analysis ovalbumin (OVA) different conditions w...
Molecular self-assembly is the spontaneous association of molecules under equilibrium conditions into stable, structurally well-defined aggregates joined by noncovalent bonds. Molecular self-assembly is ubiquitous in biological systems and underlies the formation of a wide variety of complex biological structures. Understanding self-assembly and the associated noncovalent interactions that conn...
Stimulated by the recent observation of pi-pi interactions between C60 and corannulene subunits in a molecular tweezer arrangement (J Am Chem Soc 2007, 129, 3842), a density functional theory study was performed to analyze the electronic structure and properties of various noncovalent corannulene complexes. The theoretical approach is first applied to corannulene complexes with a series of benc...
The complexes trans-[PtBr2(NCNR2)2] (R2 = Me21, (CH2)52) were cocrystallized with 1,1,2,2-tetrabromoethane (tbe) in CH2Cl2 forming solvates 1·tbe and 2·tbe, respectively. In both solvates, tbe involved halogen bonding, viz. the C–Br···Br–Pt interactions, detected by single-crystal X-ray diffractions experiments. Appropriate density functional theory calculations (M06/def2-TZVP) performed for is...
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