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Using gauge‐invariant atomic orbital PBE/3ζ quantum chemistry approach, 13C NMR chemical shifts and diastereotopic splittings of sp2 fullerenyl carbons of a number of sulfur homofullerenes and methanofullerenes have been predicted and discussed. An anisochrony of fullerene carbons is caused by a chiral center of attached moieties. Clearly distinguishable diastereotopic pairs (from 8 to 11) of fullerenyl carbons of homofullerenes were observed. Unambiguous assignments of 13C NMR chemical shifts were performed, and diastereotopic splittings of methanofullerenes were observed for α, β and γ to a functionalization site. Copyright © 2013 John Wiley & Sons, Ltd.  相似文献   
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The pebbling threshold of the square of cliques   总被引:1,自引:0,他引:1  
Given an initial configuration of pebbles on a graph, one can move pebbles in pairs along edges, at the cost of one of the pebbles moved, with the objective of reaching a specified target vertex. The pebbling number of a graph is the minimum number of pebbles so that every configuration of that many pebbles can reach any chosen target. The pebbling threshold of a sequence of graphs is roughly the number of pebbles so that almost every (resp. almost no) configuration of asymptotically more (resp. fewer) pebbles can reach any chosen target. In this paper we find the pebbling threshold of the sequence of squares of cliques, improving upon an earlier result of Boyle and verifying an important instance of a probabilistic version of Graham's product conjecture.  相似文献   
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Application of the electrostatic ion storage ring ELISA to studies of clusters and biomolecules is discussed. Ions injected from a plasma source or a sputter source are hot, and at short times the yield of neutrals is usually dominated by decay of metastable ions. We have demonstrated that the decay function is close to a 1/t dependence when the internal energy of the ions is conserved, i.e., when photon emission can be ignored. Deviations from a 1/t distribution therefore gives information about the radiative lifetime or, for larger systems, about the intensity of the emitted radiation. Systematic measurements have been carried out for fullerene anions C N ?, for even values of N from 36 to 96, to test a classical dielectric model. Recently we have installed an electrospray ion source with a Paul trap for bunching, which can be used to inject biomolecular ions from solution, and the first experiments on laser spectroscopy of biomolecules have been carried out. Also lifetimes of excited states have been measured for stored biomolecular ions excited by a laser pulse.

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Bikchentaev  Airat 《Positivity》2020,24(5):1487-1501
Positivity - Let $${{\mathcal {M}}}$$ be a von Neumann algebra of operators on a Hilbert space $${\mathcal {H}}$$ and $$\tau $$ be a faithful normal semifinite trace on $$\mathcal {M}$$ . Let...  相似文献   
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New phosphorylated aminoacetal has been synthesized by the Kabachnik–Fields reaction; its reactivity has been studied in acid‐catalyzed condensation with linear polyphenols (2‐methylresorcinol, resorcinol, pyrogallol) and the Mannich reaction with macrocyclic polyphenol (calix[4]resorcinol). It has been determined for the first time that acid‐catalyzed reaction of phosphorus‐containing acetal with resorcinol and its derivatives in ethanol in the presence of hydrochloric acid gives new phosphorylated piperazines in addition to the compounds of diarylmethane series. Condensation of macrocyclic polyphenol (calix[4]resorcinol) with formaldehyde and N‐((dihexylphosphoryl)methyl)‐2, 2‐dimethoxyethylamine (the Mannich reaction) has resulted in novel tetrasubstituted calixarene containing aminophosphine oxide and acetal groups on the “upper rim” of molecule.  相似文献   
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