Search results for "etica"

showing 10 items of 14083 documents

1,2,6-Thiadiazine 1-Oxides: Unsaturated Three-Dimensional S,N-Heterocycles from Sulfonimidamides.

2020

Unprecedented three-dimensional 1,2,6-thiadiazine 1-oxides have been prepared by an aza-Michael-addition/cyclization/condensation reaction sequence starting from sulfonimidamides and propargyl ketones. The products have been further functionalized by standard cross-coupling reactions, selective bromination of the heterocyclic ring, and conversion into a β-hydroxy substituted derivative. A representative product was characterized by single-crystal X-ray structure analysis. peerReviewed

sulfonimidamidessingle-crystal X-raybioaktiiviset yhdisteet010405 organic chemistryStereochemistryChemistryOrganic ChemistryOxideHalogenation010402 general chemistryCondensation reaction01 natural sciencesBiochemistryCoupling reaction0104 chemical scienceschemistry.chemical_compoundPropargylPhysical and Theoretical ChemistrySequence (medicine)Organic letters
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Spherical Top Theory and Molecular Spectra

2011

In this article, we present an overview of the present state of the art of the theory of high-resolution spherical-top spectra in the framework of the effective Hamiltonian approach. We describe the specific features of this class of molecules to explain the basic concepts of the theoretical methods used for the analysis (line positions and intensities) and the simulation of absorption (including pure rotation) and Raman spectra of such species. The non conventional formalism that we use is essentially based on irreducible tensor methods and is especially adapted to computational treatments and global analyses of complex interacting band systems. We give examples concerning mainly methane (…

sulfur hexafluoride010504 meteorology & atmospheric sciences[PHYS.PHYS.PHYS-GEN-PH] Physics [physics]/Physics [physics]/General Physics [physics.gen-ph]group theory01 natural sciencesSpectral linerovibronic spectrasymbols.namesakeTheoretical physicsSpherical-topsvibrational polyads0103 physical sciencesMolecule[ PHYS.PHYS.PHYS-GEN-PH ] Physics [physics]/Physics [physics]/General Physics [physics.gen-ph]Physics::Chemical PhysicsSpectroscopy0105 earth and related environmental sciences010304 chemical physicsChemistrymethaneRotational–vibrational spectroscopy[PHYS.PHYS.PHYS-GEN-PH]Physics [physics]/Physics [physics]/General Physics [physics.gen-ph]Homogeneous spacesymbolsextension to lower symmetriescollisional broadeningprograms and databasesAtomic physicsHamiltonian (quantum mechanics)Raman spectroscopyrovibrational spectroscopytensorial formalismGroup theory
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CO(2)-water supercritical mixtures: Test of a potential model against neutron diffraction data

2007

Abstract A neutron diffraction experiment on supercritical mixtures of water and CO 2 at two concentrations is presented. Data are analyzed within the EPSR framework and the water–water and water–CO 2 radial distribution functions are compared with those calculated by a Molecular Dynamics simulation performed by using the TIPS2 and EPM-M potential models for water and CO 2 respectively. It is found that the Molecular Dynamics simulation reproduces the overall shape of the site–site radial distribution functions, although missing a few subtle changes brought along when the CO 2 concentration is increased.

supercritical fluidChemistryNeutron diffractionAnalytical chemistryThermodynamicsRadial distributionCondensed Matter PhysicsAtomic and Molecular Physics and OpticsSupercritical fluidElectronic Optical and Magnetic MaterialsMolecular dynamicsneutron diffractionMaterials ChemistryAstrophysics::Earth and Planetary AstrophysicsPhysical and Theoretical ChemistryPhysics::Atmospheric and Oceanic PhysicsSpectroscopy
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MUV: A Game to Encourage Sustainable Mobility Habits

2019

This working paper investigates the question of changing people mobility towards more sustainable habits involving them in an engaging gameplay. The work is performed within MUV H2020 research and innovation action. The game design, definition and features have been co-created through the involvement of different citizens and stakeholders in six European neighbourhoods. The paper discusses the game design as resulting from co-creation and co-design experiences with each neighbourhood communities involved in initial phases. The paper argues that the local co-design activities have influenced the game definition, together with the community engagement approach. The MUV gameplay approach resul…

sustainable urban mobilityCo-creation; Community engagement; Gamification; Urban sustainable mobility; Theoretical Computer Science; Computer Science (all)community engagementEconomic JusticeTheoretical Computer ScienceGame design11. Sustainability0502 economics and businessSettore ICAR/13 - Disegno IndustrialeCo-creationgamificationSociologyNeighbourhood (mathematics)060201 languages & linguistics050210 logistics & transportationSettore ICAR/20 - Tecnica E Pianificazione UrbanisticaCommunity engagementbusiness.industryCo-creationCommunity engagementComputer Science (all)05 social sciencesEquity (finance)06 humanities and the artsPublic relationsGamificationWork (electrical)Action (philosophy)0602 languages and literatureUrban sustainable mobilitybusinessco-creation
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Sviluppo etico e diritti umani in Etiopia

2002

sviluppocarestiaetica
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The Jäntti approach to adsorption with increasing gas pressure

2002

Jäntti introduced a method of calculating equilibrium adsorption from measurements where the pressure of the gas was varied in a stepwise manner. His aim was to shorten the time necessary for a given measurement. The method was applied to gas/solid systems in which simple adsorption processes occurred and where the number of adsorption sites was infinite. The present paper discusses the case where no adsorption is possible on an already occupied site (Langmuir isotherm) while the number of positions available for adsorption is considered limited. The advantages of using a gas pressure that increases linearly with time are evident for studies with this limitation. It is shown that such meas…

symbols.namesakeAdsorptionGas pressureChemistryGeneral Chemical Engineeringlcsh:QD450-801symbolsThermodynamicsLangmuir adsorption modellcsh:Physical and theoretical chemistrySurfaces and InterfacesGeneral ChemistryAdsorption Science & Technology
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Improvement of Raman Spectra of SAPO-5 by Chromium(III)-Induced Luminescence Quenching

1995

symbols.namesakeChromiumQuenching (fluorescence)chemistryGeneral EngineeringAnalytical chemistrysymbolschemistry.chemical_elementPhysical and Theoretical ChemistryPhotochemistryLuminescenceRaman spectroscopyThe Journal of Physical Chemistry
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Impulsive excitation of high vibrational states in I2–Xe complex on the electronic ground state

2010

Abstract High vibrational states, up to ν  = 22, are excited and investigated on the ground electronic state of a 1:1 I 2 –Xe complex isolated in solid Kr using femtosecond CARS technique and spontaneous resonant Raman measurements. The results show that this system is a promising candidate for investigations of coherent control of bimolecular reactions by using vibrational wavepackets on the ground electronic state.

symbols.namesakeCoherent controlChemistryExcited stateFemtosecondsymbolsGeneral Physics and AstronomyCoherent anti-Stokes Raman spectroscopyPhysical and Theoretical ChemistryAtomic physicsGround stateRaman spectroscopyExcitationChemical Physics Letters
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A Self-Contained Biometric Sensor for Ubiquitous Authentication

2007

This paper describes a real-life behavior framework in simulation game based on Probabilistic State Machine (PSM) with Gaussian random distribution. According to the dynamic environment information, NPC can generate behavior planning autonomously associated with defined FSM. After planning process, we illuminate Gaussian probabilistic function for real-life action simulation in time and spatial domains. The expected value of distribution is estimated during behavior planning process and variance is determined by NPC personality in order to realize real life behavior simulation. We experiment the framework and Gaussian PSM on a restaurant simulation game. Furthermore we give some suggestions…

symbols.namesakeFinite-state machineTheoretical computer scienceComputer scienceGaussianAutonomous agentProbabilistic logicsymbolsVariance (accounting)Function (mathematics)Expected valueVirtual reality
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Excitation energies and photoabsorption oscillator strengths of the Rydberg series in CF3Cl. A linear response and quantum defect study.

2007

Vertical excitation energies of the CF(3)Cl molecule have been obtained from a response function approach with a CC reference function to determine absolute photoabsorption oscillator strengths in the molecular-adapted quantum defect orbital formalism (MQDO). The present work covers more highly excited Rydberg states than have been experimentally reported. Assessing of the reliability of the present calculations is provided through a comparative analysis between the results of the molecule and the Cl atom. This can be used to allow for predictions of the same type of properties in other analogous systems.

symbols.namesakeFormalism (philosophy of mathematics)Quantum defectChemistryExcited stateRydberg formulasymbolsMoleculePhysical and Theoretical ChemistryReference functionAtomic physicsExcitationThe journal of physical chemistry. A
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