A Note on Convergence of the Equi-Energy Sampler

This paper studies maximum likelihood estimation for a parameterised elliptic diffusion in a manifold. The focus is on asymptotic properties of maximum likelihood estimates obtained from continuous time observation. These are well known when the underlying manifold is a Euclidean space. However, no systematic study exists in the case of a general manifold. The starting point is to write down the likelihood function and equation. This is achieved using the tools of stochastic differential geometry. Consistency, asymptotic normality and asymptotic optimality of maximum likelihood estimates are then proved, under regularity assumptions. Numerical computation of maximum likelihood estimates is briefly discussed.     

Heavy-Atom Tunneling in Semibullvalenes: How Driving Force,Substituents, and Environment Influence the Tunneling Rates

The Cope rearrangement of selectively deuterated isotopomers of 1,5-dimethylsemibullvalene 2 a and 3,7-dicyano-1,5-dimethylsemibullvalene 2 b were studied in cryogenic matrices. In both semibullvalenes the Cope rearrangement is governed by heavy-atom tunneling. The driving force for the rearrangements is the small difference in the zero-point vibrational energies of the isotopomers. To evaluate the effect of the driving force on the tunneling probability in 2 a and 2 b , two different pairs of isotopomers were studied for each of the semibullvalenes. The reaction rates for the rearrangement of 2 b in cryogenic matrices were found to be smaller than the ones of 2 a under similar conditions, whereas differences in the driving force do not influence the rates. Small curvature tunneling (SCT) calculations suggest that the reduced tunneling rate of 2 b compared to that of 2 a results from a change in the shape of the potential energy barrier. The tunneling probability of the semibullvalenes strongly depends on the matrix environment; however, for 2 a in a qualitatively different way than for 2 b .     

Surface modifications of electrode materials for lithium-ion batteries: status and trends

The research on the electrodes of Li-ion batteries aims to increase the energy density and the power density, improve the calendar and the cycling life, without sacrificing the safety issues. A constant progress through the years has been obtained owing to the surface treatment of the particles, in particular the coating of the particles with a layer that protects the core region from side reactions with the electrolyte, prevents the loss of oxygen, and the dissolution of the metal ions in the electrolyte, or simply improve the conductivity of the powder. The purpose of the present work is to review the different surface modifications that have been tried in the past for the different electrodes that are currently commercialized, or considered as promising, including the three families of positive electrodes (lamellar, spinel, and olivine families) and the three negative electrodes (carbon, Li₄Ti₅O₁₂, and silicon). The role of the different coats used to improve either the surface conductivity, or the thermal stability, or the structural integrity is discussed. The limits in the efficiency of these different coats are also analyzed along with the understanding of the surface modifications that have been proposed.     

Maximizers for the Stein–Tomas Inequality

We give a necessary and sufficient condition for the precompactness of all optimizing sequences for the Stein–Tomas inequality. In particular, if a well-known conjecture about the optimal constant in the Strichartz inequality is true, we obtain the existence of an optimizer in the Stein–Tomas inequality. Our result is valid in any dimension.     

Towards a Certified Version of the Encyclopedia of Triangle Centers

Triangle centers such as the center of gravity, the circumcenter, the orthocenter are well studied by geometers. Recently, under the guidance of Clark Kimberling, an electronic encyclopedia of triangle centers (ETC) has been developed, it contains more than 7000 centers and many properties of these points. In this paper, we describe how we created a certified version of ETC such that some of the properties described come along with a computer checked proof of its validity.     

Detrimental Ni(0) transfer in Kumada catalyst transfer polycondensation of benzo[2,1‐b:3,4‐b']dithiophene

This article deals with the Kumada Catalyst Transfer Polycondensation (KCTP) of 4,7‐dioctylbenzo[2,1‐b:3,4‐b']dithiophene ( BDP‐Oct ) using Ni(II) catalyst or In/cat combination. A combination of MALDI MS, GPC, and ³¹P NMR spectroscopy is used to reveal the failure of the KCTP of this particular monomer. Intermolecular transfer reactions to monomer appeared to prevent the formation of polymer. This result is remarkable, since isomeric benzo[1,2‐b:4,5‐b']dithiophene polymerizes in a controlled way. The presence of a “non‐aromatic double bond” in annulated monomers is discussed. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 1706–1712