نتایج جستجو برای: non covalent interaction

تعداد نتایج: 1829141  

2011
Adriana Ilie Albert Soran Antonio Laguna Cristian Silvestru

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.

Journal: :Dalton transactions 2010
Heiko Jacobsen

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.

2014
Thayaparan Paramanathan Daniel Reeves Larry J. Friedman Jane Kondev Jeff Gelles

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...

Journal: :Chemistry 2016
Tamara Kosikova Harry Mackenzie Douglas Philp

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...

2010
Mehrnaz Gharagozlou Vratislav Langer Andya Nemati

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...

Journal: :Dalton transactions 2013
Noël Lugan Israel Fernández Rémy Brousses Dmitry A Valyaev Guy Lavigne Nikolai A Ustynyuk

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.

2017
Nicolas Brun Peter Hesemann Davide Esposito

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...

Journal: :Physical review. E, Statistical, nonlinear, and soft matter physics 2011
Rakesh Kumar Mishra Garima Mishra M S Li Sanjay Kumar

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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