نتایج جستجو برای: noncovalent interactions
تعداد نتایج: 389161 فیلتر نتایج به سال:
Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy
Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap
The far-infrared vibrational spectra of molecular crystals are dominated by intramolecular (internal) modes, which are also present in the isolated molecule, and noncovalent intermolecular modes, which arise from the interaction of the nearest neighbours (external modes). Conceptually this has long been understood and early experiments using Fourier transform infrared (FTIR) spectroscopy confir...
Dimethylnorbornene ester (DNE) is successfully used as a noncovalent adhesion promoter. DNE was confirmed to copolymerize with dicyclopentadiene (DCPD) to yield a copolymer with better adhesion to an EPON 828 epoxy matrix relative to poly(DCPD) alone. The mechanical properties of the copolymer were comparable to that of poly(DCPD) alone. An optimized blend of the monomers was encapsulated using...
Structural and thermodynamic data are presented on the binding properties of anion receptors containing two covalently linked cyclopeptide subunits that bind sulfate and iodide anions with micromolar affinity in aqueous solution. A synchrotron X-ray crystal structure of the sulfate complex of one receptor revealed that the anion is bound between the peptide rings of the biscyclopeptide. Intimat...
The IR spectra of sevoflurane + acetone mixtures in liquefied Xe were studied at T ~ 165-190 K. Complex formation stabilized by noncovalent interactions weak H-bond type has been identified on the basis changes found selected bands both components. Quantum-chemical calculations made MP2/6-311++G(d,p) level, show that spectrum region stretching vibrations CH and 2 groups is formed due to anharmo...
A supramolecular halide catcher catches chloride exclusively from an aqueous solution containing the biologically most abundant essential anions. Multiple noncovalent interactions are involved in deep enclosure of designer self-assembled coordination cage for binding. Impressively, is captured with up to nanomolar affinity solutions. More information can be found Research Article by D. K. Chand...
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