Results 21 to 30 of about 15,805 (306)
On chemical bonding and helium distribution in hcp beryllium [PDF]
, 2011 Chemical inertness is the key property of helium determining its solubility, distribution and accumulation kinetics in metals. Against all expectations, our ab initio calculations show a substantial chemical bonding between He and Be atoms in the hcp-Be matrix when He occupies a non-symmetric position in a basal plane.
A. S. Bakai +2 more
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Multinuclear beryllium amide and imide complexes: structure, properties and bonding
Dalton TransactionsMultinuclear beryllium amides and imides were prepared and the bonding situation in these compounds was evaluated with the intrinsic bond orbital localization method to evaluate if electronic or steric factors are decisive for the complex geometries.
Deniz F. Bekiş +3 more
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Large Stabilization Effects by Intramolecular Beryllium Bonds in Ortho-Benzene Derivatives
Molecules, 2021 Intramolecular interactions are shown to be key for favoring a given structure in systems with a variety of conformers. In ortho-substituted benzene derivatives including a beryllium moiety, beryllium bonds provide very large stabilizations with respect ...
Tsai I-Ting +4 more
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Study of Beryllium, Magnesium, and Spodium Bonds to Carbenes and Carbodiphosphoranes
Molecules, 2021 The aim of this article is to present results of theoretical study on the properties of C⋯M bonds, where C is either a carbene or carbodiphosphorane carbon atom and M is an acidic center of MX2 (M = Be, Mg, Zn).
Mirosław Jabłoński
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Side‐On Bonded Beryllium Dinitrogen Complexes [PDF]
Angewandte Chemie International Edition, 2020 AbstractThe preparation and spectroscopic identification of the complexes NNBe(η2‐N2) and (NN)2Be(η2‐N2) and the energetically higher lying isomers Be(NN)2and Be(NN)3are reported. NNBe(η2‐N2) and (NN)2Be(η2‐N2) are the first examples of covalently side‐on bonded N2adducts of a main‐group element.
Guohai Deng +5 more
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Perturbating Intramolecular Hydrogen Bonds through Substituent Effects or Non-Covalent Interactions
Molecules, 2021 An analysis of the effects induced by F, Cl, and Br-substituents at the α-position of both, the hydroxyl or the amino group for a series of amino-alcohols, HOCH2(CH2)nCH2NH2 (n = 0–5) on the strength and characteristics of their OH···N or NH···O ...
Al Mokhtar Lamsabhi +2 more
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Interaction of Small Hydrocarbons with Fusion Relevant Beryllium Thin Films
Mehran University Research Journal of Engineering and Technology, 2021 Ion-surface collision studies are carried out with small deuterated hydrocarbon cations i.e. CDx + with x = 2-4 colliding with fusion relevant Beryllium (Be) thin films with ions incident energy as low as 0 eV and as high as Ein = 100 eV.
Bilal Rasul, Aroog g
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The use of a cluster-associate pattern for calculation of melt viscosity
Қарағанды университетінің хабаршысы. Физика сериясы, 2022 The liquid state of the substance is the most complex for theoretical description. Modern ideas about the liquid and its viscosity are reduced to the following: in the structure of the liquid, the spatial arrangement of atoms is not fixed, as in a ...
А.Ш. Кажикенова +5 more
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Unveiling the bonding in HNBeCO: A valence bond theory approach [PDF]
Kragujevac Journal of ScienceIn this study, the bonding and electronic structure of the HNBeCO molecule were investigated using high level classical Valence Bond (VB) theory. Starting from a full-structure calculation involving 175 VB structures, we identified and selected only ...
Đorđević Slađana, Radenković Slavko
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Cooperativity in beryllium bonds
Phys. Chem. Chem. Phys., 2014 Positive cooperativity is found in beryllium bonded complexes similar to that described for hydrogen bonded systems.
Alkorta, Ibon +3 more
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