نتایج جستجو برای: non covalent interaction
تعداد نتایج: 1829141 فیلتر نتایج به سال:
In the title compound, C(6)H(26)B(20)Se(3), the geometry around the central Se atom is V-shaped, with the Se-Se-Se angle being 105.60 (4)°. The Se-Se bond lengths are consistent with single covalent bonds.
An analysis of the kinetic energy density within a molecule identifies patterns within its electronic structure that are intuitively linked to familiar concepts of chemical bonding.
The kinetic stability of non-covalent macromolecular complexes controls many biological phenomena. Here we find that physical models of complex dissociation predict that competitor molecules will, in general, accelerate the breakdown of isolated bimolecular complexes by occluding rapid rebinding of the two binding partners. This prediction is largely independent of molecular details. We confirm...
Two recognition-mediated reaction processes operating through reactive binary complexes drive resolution of a 24-component dynamic covalent library, assembled from individual aldehydes and nucleophiles. The effectiveness of the library resolution and selective amplification of one recognition-enabled species over another is limited by the difference in the rates of the recognition-mediated reac...
The title compound, [Zn(H(2)O)(6)][Zn(C(7)H(4)NO(4))(3)](2), consists of two [Zn(py-2,3-dcH)(3)](-) anions (py-2,3-dcH is 3-carboxy-pyridine-2-carboxylate) and one [Zn(H(2)O)(6)](2+) cation. The anion is a six-coordinate complex located on a threefold rotation axis with a slightly distorted octa-hedral geometry around Zn(2+) ion. The cation is also six-coordinate with an octa-hedral geometry ar...
The prevalence of a counterintuitive carbene conformation in a series of piano-stool Mn(I) alkylalkoxycarbene complexes was rationalized by means of DFT calculations and high-resolution XRD analysis in terms of stabilizing non-covalent C-H···C≡O interligand interactions.
Biorefinery aims at the conversion of biomass and renewable feedstocks into fuels and platform chemicals, in analogy to conventional oil refinery. In the past years, the scientific community has defined a number of primary building blocks that can be obtained by direct biomass decomposition. However, the large potential of this "renewable chemical space" to contribute to the generation of value...
Using the Langevin dynamics simulation, we have studied the effects of shear force on the rupture of short double-stranded DNA at different temperatures. We show that the rupture force increases linearly with chain length and approaches the asymptotic value in accordance with the experiment. The qualitative nature of these curves remains almost the same for different temperatures but with a shi...
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