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931.
932.
Andrew C. Brooks Peter Day John D. Wallis 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(5):o245-o247
The crystal structure of the title compound [systematic name: 2‐(1,3‐dithiolo[4,5‐b][1,4]dithiin‐2‐ylidene)‐6,6‐bis(methoxyethoxymethoxymethyl)‐1,3‐dithiolo[4,5‐b][1,4]dithiepine], C21H30O6S8, a spiro‐substituted BEDT–TTF analogue [BEDT–TTF is bis(ethylenedithio)tetrathiafulvalene], has a strongly bent heterocyclic framework. The seven‐membered ring adopts a pseudo‐chair conformation with notably widened ring bond angles, especially at the methylene C atoms [119.49 (11) and 117.60 (11)°]. The axial side chain adopts an extended conformation, but the equatorial side chain curls back on itself and the O atom nearest the ring system is involved in three short contacts to H atoms (2.45–2.53 Å). The molecules pack in centrosymmetrically related pairs, which are isolated from each other by columns of the polyether side chains. This study emphasizes the ease of distortion of the neutral bis(propylenedithio)tetrathiafulvalene ring structure, and how the need to accommodate side chains can easily override the tendency of these donor systems to form stacks in the crystalline state. 相似文献
933.
934.
935.
936.
937.
An explicit derivation of dispersion relations and spectra for periodic Schrödinger operators on carbon nano-structures (including graphene and all types of single-wall nano-tubes) is provided. 相似文献
938.
C. Pozrikidis 《International Journal of Solids and Structures》2008,45(3-4):732-745
A theoretical framework for describing the kinematics and energetics of hexagonal atomic lattices, including planar carbon graphene sheets and cylindrical nanotubes, is proposed. By analogy with the membrane theory of thin shells, the deformation of the particulate lattice in the neighborhood of each atom is described in terms of a uniquely defined deformation gradient and companion local inner displacement. Expressions for the pointwise tensions developing in the plane of the lattice are developed, and a rational procedure for deriving discrete equilibrium equations is discussed. An alternative formulation involving the second-order deformation gradient that parallels the strain gradient theory of bulk media is proposed, and a tentative analogy with a the theory of micropolar elastic media is outlined. 相似文献
939.
I. M. Lavit Nguyen Viet Trung 《Journal of Applied Mechanics and Technical Physics》2008,49(3):491-499
The thermoelastoplastic fracture mechanics problem of a thick-walled cylinder subjected to internal pressure and a nonuniform
temperature field is solved by the method of elastic solutions combined with the finite-element method. The correctness of
the solution is provided by using the Barenblatt crack model, in which the stress and strain fields are regular. The elastoplastic
problem of a cracked cylinder subjected to internal pressure and a nonuniform temperature field are solved. The calculation
results are compared with available data.
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Translated from Prikladnaya Mekhanika i Tekhnicheskaya Fizika, Vol. 49, No. 3, pp. 173–183, May–June, 2008. 相似文献
940.
Michael C. W. Chan Dr. 《化学:亚洲杂志》2008,3(1):18-27
The notion of weak attractive ligand–polymer interactions is introduced, and its potential application, importance, and conceptual links with “cooperative” ligand–substrate interactions are discussed. Synthetic models of weak attractive ligand–polymer interactions are described, in which intramolecular weak C? H???F? C interactions (the existence of which remains contentious) have been detected by NMR spectroscopy and neutron and X‐ray diffraction experiments. These C? H???F? C interactions carry important implications for the design of catalysts for olefin polymerization, because they provide support for the practical feasibility of ortho‐F???Hβ ligand–polymer contacts proposed for living Group 4 fluorinated phenoxyimine catalysts. The notion of weak attractive noncovalent interactions between an “active” ligand and the growing polymer chain is a novel concept in polyolefin catalysis. 相似文献