Search results for "functional"
showing 10 items of 4822 documents
Rotationally symmetric p -harmonic maps fromD2toS2
2013
We consider rotationally symmetric p-harmonic maps from the unit disk D2⊂R2 to the unit sphere S2⊂R3, subject to Dirichlet boundary conditions and with 1<p<∞. We show that the associated energy functional admits a unique minimizer which is of class C∞ in the interior and C1 up to the boundary. We also show that there exist infinitely many global solutions to the associated Euler–Lagrange equation and we completely characterize them.
Theoretical study of the molecular structure and the stability of neutral and reduced tetracyanoethylene
2003
Abstract The molecular structure and the stability of neutral, anionic, and dianionic tetracyanoethylene (TCNE) have been studied with MP2, coupled-cluster (CC), and density functional theory (DFT) procedures. The optimized geometries are in agreement with the available experimental data, although significant deviations for the CN bond distance have been obtained at the MP2 level. The adiabatic electron affinity of TCNE calculated with the B3LYP method is overestimated by 0.32 eV. In the light of the CC results, the source of such an overestimation is suggested to lie on the theoretical approach, rather than on a too low experimental value.
Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons
2016
Cyclodehydrogenation is a versatile reaction that has enabled the syntheses of numerous polycyclic aromatic hydrocarbons (PAHs). We now describe a unique Scholl reaction of 6,7,13,14-tetraarylbenzo[k]tetraphene, which "unexpectedly" forms five-membered rings accompanying highly selective 1,2-shift of aryl groups. The geometric and optoelectronic nature of the resulting bistetracene analogue with five-membered rings is comprehensively investigated by single-crystal X-ray, NMR, UV-vis absorption, and cyclic voltammetry analyses. Furthermore, a possible mechanism is proposed to account for the selective five-membered-ring formation with the rearrangement of the aryl groups, which can be ration…
Compact all-diffractive setup for spectral synthesis with non-uniform illumination
2009
Optical filters based on diffractive optical elements (DOE) have received increased attention since the development of the first synthetic spectrum as a tool for correlation spectroscopy [1]. The production of a synthetic spectrum requires the design of a DOE that transforms the spectrum associated with the incident light into the spectrum of interest. Based on this procedure, several approaches have been reported in the literature [1–4]. In general, these configurations employ angular dispersion elements for spectrum tailoring, so they are restricted to working off-axis, and most of them need an extra focusing refractive lens.
Dicyclopentaannelated Hexa-peri-hexabenzocoronenes with a Singlet Biradical Ground State
2021
Abstract Synthesis of two dicyclopentaannelated hexa‐peri‐hexabenzocoronene (PHBC) regioisomers was carried out, using nonplanar oligoaryl precursors with fluorenyl groups: mPHBC 8 with two pentagons in the “meta”‐configuration was obtained as a stable molecule, while its structural isomer with the “para”‐configuration, pPHBC 16, could be generated and characterized only in situ due to its high chemical reactivity. Both PHBCs exhibit low energy gaps, as reflected by UV‐vis‐NIR absorption and electrochemical measurements. They also show open‐shell singlet ground states according to electron paramagnetic resonance (EPR) measurements and density functional theory (DFT) calculations. The use of…
Interpolated measures with bounded density in metric spaces satisfying the curvature-dimension conditions of Sturm
2011
We construct geodesics in the Wasserstein space of probability measure along which all the measures have an upper bound on their density that is determined by the densities of the endpoints of the geodesic. Using these geodesics we show that a local Poincar\'e inequality and the measure contraction property follow from the Ricci curvature bounds defined by Sturm. We also show for a large class of convex functionals that a local Poincar\'e inequality is implied by the weak displacement convexity of the functional.
Duplicated cytoglobin genes in teleost fishes
2005
Cytoglobin is a recently discovered myoglobin-related O2-binding protein of vertebrates with uncertain function. It occurs as single-copy gene in mammals. Here, we demonstrate the presence of two paralogous cytoglobin genes (Cygb-1 and Cygb-2) in the teleost fishes Danio rerio, Oryzias latipes, Tetraodon nigroviridis, and Takifugu rubripes. The globin-typical introns at positions B12.2 and G7.0 are conserved in both genes, whereas the C-terminal exon found in mammalian cytoglobin is absent in the fish genes. Phylogenetic analyses show that the two cytoglobin genes diverged early in teleost evolution. This is confirmed by gene synteny analyses, which suggest a large-scale duplication event. …
Ecosystem Architecture Management in the Public Sector : From Problems to Solutions
2019
Based on our research concerning enterprise architecture (EA) in the Finnish public sector, we discuss how EA concept and tool need to be developed to support government business ecosystem and organization design. Our research context indicates, beyond a federal government or a state one, that even a single municipality, like a city concern, can be perceived as an ecosystem of its sectoral domains, subsidiaries and such. We outline a vision of an overall ontology-based, shared EA repository for the-whole-of-government current state descriptions and specify the central design principles and functional requirements for such a system, illustrating some potential use cases of it. Based on inter…
Dissociable contributions of left and right dorsolateral prefrontal cortex in planning.
2010
It is well established that the mid-dorsolateral prefrontal cortex (dlPFC) plays a critical role in planning. Neuroimaging studies have yielded predominantly bilateral dlPFC activations, but the existence and nature of functionally specific contributions of left and right dlPFC have remained elusive. In recent experiments, 2 independent parameters have been identified which substantially determine planning: 1) the degree of interdependence between consecutive steps (search depth) and 2) the degree to which the configuration of the goal state renders the order of single steps either clearly evident or ambiguous (goal hierarchy). Thus, search depth affects the actual mental generation and eva…
Certain doping concentrations caused half-metallic graphene
2017
This work is supported by National Natural Science Foundation of China (Grant No. 21173096).