The crystal structure of the low-temperature Na4Ti5O12 (tetrasodium pentatitanium dodecaoxide) phase has been solved and refined from X-ray and neutron powder diffraction data at 295 K. The structure is trigonal, space group P3, with Z = 1, although it is pseudo-centrosymmetric. The O and Na atoms form a distorted close-packed structure, where Ti atoms occupy octahedral sites. 相似文献
We extend the Capelli identity from the Lie algebra to the other classical Lie algebras and . We employ the theory of reductive dual pairs due to Howe.
Received: 12 February 1997 / in revised form: 24 July 1998 相似文献
We present a short analytic proof of the equality between the analytic and combinatorialtorsion. We use the same approach as in the proof given by Burghelea, Friedlander andKappeler, but avoid using the difficult Mayer-Vietoris type formula for the determinantsof elliptic operators. Instead, we provide a direct way of analyzing the behaviour of thedeterminant of the Witten deformation of the Laplacian. In particular, we show that thisdeterminant can be written as a sum of two terms, one of which has an asymptoticexpansion with computable coefficients and the other is very simple (no zeta-functionregularization is involved in its definition). 相似文献
We review several aspects of flavour-diagonal CP-violation, focussing on the role played by the electric dipole moments (EDMs) of leptons, nucleons, atoms, and molecules, which constitute the source of several stringent constraints on new CP-violating physics. We dwell specifically on the calculational aspects of applying the hadronic EDM constraints, reviewing in detail the application of QCD sum-rules to the calculation of nucleon EDMs and CP-odd pion-nucleon couplings. We also consider the current status of EDMs in the Standard Model, and on the ensuing constraints on the underlying sources of CP-violation in physics beyond the Standard Model, focussing on weak-scale supersymmetry. 相似文献
A novel luciferin from a bioluminescent Siberian earthworm Fridericia heliota was recently described. In this study, the Fridericia oxyluciferin was isolated and its structure elucidated. The results provide insight into a novel bioluminescence mechanism in nature. Oxidative decarboxylation of a lysine fragment of the luciferin supplies energy for light generation, while a fluorescent CompX moiety remains intact and serves as the light emitter. 相似文献
NiO layers were deposited by metal-organic chemical vapor deposition using bis-(ethylcyclopentadienyl) nickel (EtCp)2Ni and oxygen or ozone. As a continuation of kinetic study of NiO MOCVD the gas-phase, transformations of (EtCp)2Ni were studied in the temperature range of 380–830 K. Time of reactions corresponding to the residence time of the gas stream in hot zone of the reactor was about 0.1 s under conditions studied. The interaction of (EtCp)2Ni with oxygen started at 450 K and its conversion rate reached the maximum at 700 K. The interaction of (EtCp)2Ni with ozone started at 400 K and its conversion rate reached the maximum at 600 K. Transformations of the gas phase with the temperature in the reaction zone were studied, the model reaction schemes illustrating (EtCp)2Ni transformations in the reaction systems containing oxygen and ozone have developed. In the reaction system (EtCp)2Ni–O2–Ar the main gas-phase products at 380–500 K were CO, CO2, HCO, C2H5OH, CpCOOH, and CpO. Formation of the C2H2O, C3H4O, and C5H8O was found at 630–830 K. The same gas-phase species, (C4H3O)2Ni and dialdehydes was formed in the reaction system (EtCp)2Ni–O3–O2–Ar.
In this article, we propose a new multigrid-based algorithm for solving integral equations of the reference interactions site model (RISM). We also investigate the relationship between the parameters of the algorithm and the numerical accuracy of the hydration free energy calculations by RISM. For this purpose, we analyzed the performance of the method for several numerical tests with polar and nonpolar compounds. The results of this analysis provide some guidelines for choosing an optimal set of parameters to minimize computational expenses. We compared the performance of the proposed multigrid-based method with the one-grid Picard iteration and nested Picard iteration methods. We show that the proposed method is over 30 times faster than the one-grid iteration method, and in the high accuracy regime, it is almost seven times faster than the nested Picard iteration method. 相似文献