Search results for " space"

Uniformization with infinitesimally metric measures

2019

We consider extensions of quasiconformal maps and the uniformization theorem to the setting of metric spaces $X$ homeomorphic to $\mathbb R^2$. Given a measure $\mu$ on such a space, we introduce $\mu$-quasiconformal maps $f:X \to \mathbb R^2$, whose definition involves deforming lengths of curves by $\mu$. We show that if $\mu$ is an infinitesimally metric measure, i.e., it satisfies an infinitesimal version of the metric doubling measure condition of David and Semmes, then such a $\mu$-quasiconformal map exists. We apply this result to give a characterization of the metric spaces admitting an infinitesimally quasisymmetric parametrization.

Electromagnetic transitions of heavy baryons in theSU(2Nf)⊗O(3)symmetry

2001

We apply heavy quark symmetry to the radiative decays of heavy baryons. Even with this symmetry in place there are too many couplings to make a meaningful set of predictions. We show that if, in addition, light-diquark symmetries are applied, the number of electromagnetic couplings among S wave and P wave states as well as those between P wave to S wave transitions can be reduced significantly. Using this constituent quark model picture a number of predictions are made that will be testable in the near future.

Cruzy-le-Châtel (Yonne). Château de Maulnes. Rapport d'étude archéologique (février - mars 2001). Aile ouest des communs. Etude des sols et des éléva…

2001

Perturbations of symmetric elliptic Hamiltonians of degree four

2006

AbstractIn this paper four-parameter unfoldings Xλ of symmetric elliptic Hamiltonians of degree four are studied. We prove that in a compact region of the period annulus of X0 the displacement function of Xλ is sign equivalent to its principal part, which is given by a family induced by a Chebychev system; and we describe the bifurcation diagram of Xλ in a full neighborhood of the origin in the parameter space, where at most two limit cycles can exist for the corresponding systems.

Charged supramolecular assemblies of surfactant molecules in gas phase

2015

The aim of this review is to critically analyze recent literature on charged supramolecular assemblies formed by surfactant molecules in gas phase. Apart our specific interest on this research area, the stimuli to undertake the task arise from the widespread theoretical and applicative benefits emerging from a comprehensive view of this topic. In fact, the study of the formation, stability, and physicochemical peculiarities of non-covalent assemblies of surfactant molecules in gas phase allows to unveil interesting aspects such as the role of attractive, repulsive, and steric intermolecular interactions as driving force of supramolecular organization in absence of interactions with surround…

Assessment of the Potential Energy Hypersurfaces in Thymine within Multiconfigurational Theory: CASSCF vs. CASPT2

2016

The present study provides new insights into the topography of the potential energy hypersurfaces (PEHs) of the thymine nucleobase in order to rationalize its main ultrafast photochemical decay paths by employing two methodologies based on the complete active space self-consistent field (CASSCF) and the complete active space second-order perturbation theory (CASPT2) methods: (i) CASSCF optimized structures and energies corrected with the CASPT2 method at the CASSCF geometries and (ii) CASPT2 optimized geometries and energies. A direct comparison between these strategies is drawn, yielding qualitatively similar results within a static framework. A number of analyses are performed to assess t…

Organic synthesis of high added value molecules with MOF catalysts

2020

Recent examples of organic synthesis of fine chemicals and pharmaceuticals in confined spaces of MOFs are highlighted and compared with silica-based ordered porous solids, such as zeolites or mesoporous (organo)silica. These heterogeneous catalysts offer the possibility of stabilizing the desired transition states and/or intermediates during organic transformations of functional groups and (C-C/C-N) bond forming steps towards the desired functional high added value molecular scaffolds. A short introduction on zeolites, mesoporous silica and metal-organic frameworks is followed by relevant applications in which confined active sites in the pores promote single or multi-step organic synthesis…

A mutliconfigurational study of low-lying electronic states of KO

1992

Abstract Potential energy curves and spectroscopic parameters of several electronic states of the KO molecule have been calculated using multi-configurational methods. The KO B 2Π state, first time theoretically described, presents a strong avoided crossing with the A 2Π state, and allows for the explanation of the observed fluorescence of the KO molecule. Eleven electronic states have been studied at all the internuclear distances. Effects of complete active space and basis set selections on the results are also analyzed.

Diffusion Control in Single-Site Zinc Reticular Amination Catalysts.

2020

Zn-containing metal-organic frameworks have been used for the first time as heterogeneous catalysts in the amination of C-Cl bonds. The use of extended bis(pyrazolate) linkers can generate highly porous architectures, which favor the diffusion of amines to the confined spaces with respect to other imidazolate frameworks with narrower pore windows. The N4Zn nodes of the Zn-reticular framework show comparable activity to state-of-the-art homogeneous Zn amination catalysts, avoiding the use of basic conditions, precious metals, or other additives. This is combined with long-term activity and stability upon several reaction cycles, without contamination of the reaction product. ispartof: INORGA…

Computational Study on Cesium Azide Trapped in a Cyclopeptidic Tubular Structure

2008

The structures and the electronic properties of host-guest complexes formed by a cyclopeptidic tubular aggregate and the species CsN3, CS2(N-3)(2), and CS2N6 have been investigated by means of density functional theory. Taking advantage of the azide property to act as a bridge ligand between two or more metal cations, it may be possible to trap N-3(-) ions inside a confined space. This could be important for the preparation of polynitrogen molecules N-n. Results show that there are significant attractive interactions between the azide ion and the cavity walls, which make the ion stay inside the inner empty space of the cyclopeptidic aggregate. The confinement of the species CS2(N-3)(2) forc…