Search results for "Continuum"

showing 7 items of 477 documents

A Theoretical and Experimental Investigation of the Spectroscopic Properties of a DNA-Intercalator Salphen-Type ZnIIComplex

2014

The photophysical and DNA-binding properties of the cationic zinc(II) complex of 5-triethylammonium methyl salicylidene ortho-phenylenediiminato (ZnL 2 + ) were investi- gated by a combination of experimental and theoretical methods. DFT calculations were performed on both the ground and the first excited states of ZnL 2 + and on its possi- ble mono- and dioxidation products, both in vacuo and in selected solvents mimicked by the polarizable continuum model. Comparison of the calculated absorption and fluores- cence transitions with the corresponding experimental data led to the conclusion that visible light induces a two-elec- tron photooxidation process located on the phenylenediimi- nato…

spectroscopyNO ligandStereochemistryIntercalation (chemistry)Ionic bondingmetal complex Fluorescence spectroscopy DNA recognition metal complexes organometallics complex formation DNA binding drugs fluorescence spectroscopy equilibrium constants reaction mechanisms nucleic acids affinity binding mode thermodynamics speciationmetal complexesbinding modePhenylenediaminesPolarizable continuum modelCatalysisdrugsmetal complexthermodynamicsintercalationcomplex formationOrganometallic CompoundsA-DNADNA bindingFluorescence spectroscopyDNA recognitionphotochemistryLigandChemistrySpectrum AnalysisphotooxidationOrganic ChemistryCationic polymerizationequilibrium constantsGeneral Chemistrydensity functional calculationFluorescenceZincCrystallographyreaction mechanismsnucleic acidsspeciationSettore CHIM/03 - Chimica Generale E InorganicaExcited stateaffinityfluorescenceorganometallics
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Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

2020

Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree of precision. An appealing and challenging route toward engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind,…

spectroscopyPhotonelectronic-structure calculationsComputer sciencespectraQuantum dynamicsmolecular-dynamicsComplex systemGeneral Physics and AstronomyFOS: Physical sciences010402 general chemistryspin01 natural sciencesSettore FIS/03 - Fisica Della MateriaEngineeringTDDFTreal-space0103 physical sciencesoctopusgeneralized gradient approximationPhysical and Theoretical Chemistrydensity-functional theoryMassively parallelQuantumChemical Physicsreal time010304 chemical physicsComputational Physics (physics.comp-ph)scientific software0104 chemical sciencestotal-energy calculationsphysics.comp-phPhysical SciencesChemical Sciencespolarizable continuum modelState of matterSystems engineeringLight drivenDensity functional theoryPhysics - Computational Physics
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Hadronic light-by-light contribution to $(g-2)_\mu$ from lattice QCD with SU(3) flavor symmetry

2020

We perform a lattice QCD calculation of the hadronic light-by-light contribution to $(g-2)_\mu$ at the SU(3) flavor-symmetric point $m_\pi=m_K\simeq 420\,$MeV. The representation used is based on coordinate-space perturbation theory, with all QED elements of the relevant Feynman diagrams implemented in continuum, infinite Euclidean space. As a consequence, the effect of using finite lattices to evaluate the QCD four-point function of the electromagnetic current is exponentially suppressed. Thanks to the SU(3)-flavor symmetry, only two topologies of diagrams contribute, the fully connected and the leading disconnected. We show the equivalence in the continuum limit of two methods of computin…

symmetry: flavorParticle physicstopologymagnetic momentPhysics and Astronomy (miscellaneous)Feynman graphHigh Energy Physics::LatticeLattice field theoryHadronExtrapolationhep-lat01 natural sciencesspace: Euclideansymbols.namesakePionHigh Energy Physics - LatticeLattice (order)quantum chromodynamics0103 physical sciencesquantum electrodynamicsFeynman diagramcontinuum limit010306 general physicsEngineering (miscellaneous)perturbation theorylatticeParticle Physics - PhenomenologyQuantum chromodynamicsPhysicsform factor: transitioncurrent: electromagneticfinite size: effect[PHYS.HLAT]Physics [physics]/High Energy Physics - Lattice [hep-lat]010308 nuclear & particles physicslattice field theoryphoton photon: scatteringhep-phParticle Physics - LatticeLattice QCDsuppressionHigh Energy Physics - Phenomenology[PHYS.HPHE]Physics [physics]/High Energy Physics - Phenomenology [hep-ph]symbolsflavor: SU(3)n-point function: 4
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Uniformly Path Connected Homogeneous Continua

2016

It is proven that every path connected homogeneous continuum is uniformly path connected, which answers a question of David P. Bellamy. From this result it follows that every path connected homogeneous continuum is continuously equivalent either to an arc, or to the Cantor fan.

uniformly path connectedhomogeneouscontinuumquasi-interiorTopology Proceedings
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Progressive non-linear damage of variable angle tow composite plates by a Ritz approach

2022

In this work a Ritz model for progressive non-linear damage analysis of variable angle tow composite plates is presented. The damage is treated in the framework of continuum damage mechanics and its evolution is based on a linear softening law with which four damage indices are computed for degrading the mechanical properties of the material. A set of analyses have been carried out to investigate how damage evolves in VAT composite plates under progressive loading.

variable angle tow laminatesContinuum Damage MechanicSettore ING-IND/04 - Costruzioni E Strutture AerospazialiRitz method
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Incidentality on a continuum: A comparative conceptualization of incidental news consumption

2020

This article seeks to contribute to theorizing the dynamics of incidental news consumption. Through an analysis of 200 semi-structured interviews with people in Argentina, Finland, Israel, Japan, and the United States, we show that intentionality in news consumption can be viewed on a continuum, which goes from deliberately setting apart time to access the news on specific outlets to skimming through unsought-for news on social and broadcast media, with intermediate practices such as respondents setting up an environment where they are more or less likely to encounter news. Drawing on structuration theory, this article conceptualizes incidental news in the context of the wider media environ…

verkkojournalismiuutisetOnline journalismConceptualizationmediankäyttösocial mediaCommunicationtransnational media studiesContinuum (design consultancy)sosiaalinen mediaArts and Humanities (miscellaneous)broadcast newsonline journalismSocial mediaSociologyPositive economicsaudience studiesincidental news consumptionJournalism
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On continua whose hyperspace of subcontinua is σ-locally connected

1999

Abstract We provide a structural characterization of all continua X whose hyperspace C ( X ) of all subcontinua is the countable union of Peano continua. Applying this result we prove that there exists a uniformly path connected continuum X with no continuous mapping from C ( X ) onto X.

σ-local connectednessConnected spacePure mathematicsContinuum (topology)Mathematical analysisCharacterization (mathematics)Hyperspace of subcontinuaσ-relative local connectednessHyperspaceLocal connectednessPeano axiomsContinuumCountable setGeometry and TopologyLocal connectednessRelative local connectednessMathematicsTopology and its Applications
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