Search results for "STATES"

showing 10 items of 1532 documents

Theoretical characterization of the lowest-energy absorption band of pyrrole

2002

The lowest-energy band of the electronic spectrum of pyrrole has been studied with vibrational resolution by using multiconfigurational second-order perturbation theory (CASPT2) and its multistate extension (MS–CASPT2) in conjunction with large atomic natural orbital-type basis sets including Rydberg functions. The obtained results provide a consistent picture of the recorded spectrum in the energy region 5.5–6.5 eV and confirm that the bulk of the intensity of the band arises from a ππ∗ intravalence transition, in contradiction to recent theoretical claims. Computed band origins for the 3s,3p Rydberg electronic transitions are in agreement with the available experimental data, although new…

Valence (chemistry)Organic compounds ; Vibrational states ; Perturbation theory ; Rydberg states ; Orbital calculationsAb initioGeneral Physics and AstronomyPerturbation theoryRydberg statesUNESCO::FÍSICA::Química físicaOrbital calculationschemistry.chemical_compoundsymbols.namesakechemistryEnergy absorptionAtomic electron transitionExcited stateOrganic compoundsRydberg formulasymbolsTheoretical chemistryVibrational statesPhysical and Theoretical ChemistryAtomic physics:FÍSICA::Química física [UNESCO]Pyrrole
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Mixed-valence polyoxometalate clusters. I. Delocalization of electronic pairs in dodecanuclear heteropoly blues with keggin structure

1995

Abstract The problem of delocalization of a pair of electrons over dodecanuclear polyoxometalate clusters with the Keggin structure is considered with the aim of explaining the spin pairing in these multi-nuclear mixed-valence systems. A general approach that considers the Coulomb interactions between the two delocalized electrons, as well as the single and double electron transfer processes which can be operative in delocalization of the electronic pairs is developed. The new approach is based on the site-symmetry concept which makes possible a group theoretical classification for the delocalized states of electronic pairs. This procedure proves to be very efficient in the calculation of t…

Valence (chemistry)Spin statesGeneral Physics and AstronomyMolecular physicsDelocalized electronKeggin structurechemistry.chemical_compoundchemistryPairingPolyoxometalateCluster (physics)Singlet statePhysical and Theoretical ChemistryAtomic physicsChemical Physics
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Modelling electric field control of the spin state in the mixed-valence polyoxometalate [GeV14O40]8−

2013

International audience; : The two-electron reduced mixed-valence polyoxometalate [GeV14O40](8-) presents an unusual paramagnetic behaviour as a consequence of the partial trapping of these electrons. The effect of applying an electric field is that of inducing antiferromagnetic coupling between the two delocalized electronic spins.

Valence (chemistry)SpinsSpin statesCondensed matter physicsChemistryMetals and Alloys02 engineering and technologyGeneral ChemistryElectron010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesCatalysis0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsDelocalized electronParamagnetismElectric fieldPolyoxometalateMaterials ChemistryCeramics and CompositesCondensed Matter::Strongly Correlated Electrons[CHIM.OTHE]Chemical Sciences/Other0210 nano-technologyChemical Communications
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El laberinto de la sucesión de estados respecto de los tratados internacionales sobre derechos humanos

2021

This Article analyses the effects of succession of States in respect of international treaties on human rights. This is a matter not codified by the Vienna Convention on Succession of States in respect of Treaties. We have to bear in mind that human rights treaties have been adopted by international organisations, which have developed their own practice both for the succession of States as States Members of an international organisation and for the succession of States as Contracting Parties to treaties that the United Nations, the Council of Europe or the European Union have adopted in the field of human rights.

Valentín Enrique This Article analyses the effects of succession of States in respect of international treaties on human rights. This is a matter not codified by the Vienna Convention on Succession of States in respect of Treaties. We have to bear in mind that human rights treaties have been adopted by international organisationswhich have developed their own practice both for the succession of States as States Members of an international organisation and for the succession of States as Contracting Parties to treaties that the United Nations2070-8157 22082 Revista Boliviana de Derecho 584568 2021 32 8055235 El laberinto de la sucesión de estados respecto de los tratados internacionales sobre derechos humanos Bou Franchtreaties on human rights 690 731UNESCO::CIENCIAS JURÍDICAStratados de derechos humanosinternational treatiesSuccession of Statesthe Council of Europe or the European Union have adopted in the field of human rights. Sucesión de Estadostratados internacionales
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The impact of foreign trade on the Netherlands' real CO2 emissions

2019

Aim: CO2 emissions and the related climate change are a global problem, where the direct impact of actions of individual countries depends on their total share in CO2 emissions. In order to assess the potential for policy measures, the openness of an economy, and the related import and export and their impacts on emissions should be considered. The aim of this paper is the attempt to show the real CO2 emissions of the Netherlands as well as the impact of its trade on CO2 emissions in other countries in the world and in the EU in 2015.Design / Research methods: This study was conducted on the group of countries that are the major emitters of CO2 in the world including most of the EU members.…

Value (ethics)business.industryMember statesthe NetherlandsGlobal problemClimate changeclimate policyInternational tradeCO2 emissionsEnergy policyexports and importsOrder (exchange)Openness to experienceddc:330EU energy policymedia_common.cataloged_instanceEuropean unionbusinessmedia_common
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Phase coexistence in finite van der Waals systems

1999

Phase coexistence in finite systems obeying van der Waals equation of state is studied by minimizing a model free energy function for a spherical liquid droplet and a gaseous phase around it. Phase diagrams are calculated for finite systems with a large range of sizes. According to this model, the highest temperature where a droplet and vapour can exist in equilibrium decreases as N −0.4, where N is the number of particles in the system. The model predicts higher equilibrium vapour pressures than molecular dynamics simulations.

Van der Waals equationParticle numberChemistryBiophysicsThermodynamicsCondensed Matter PhysicsTheorem of corresponding statesPhysics::Fluid Dynamicssymbols.namesakeMolecular dynamicsPhase (matter)symbolsVan der Waals radiusPhysical and Theoretical Chemistryvan der Waals forceMolecular BiologyPhase diagram
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The contribution of human migration to tourism: The VFR travel between the EU28 member states

2017

This study explores the correlation between human migration and that part of tourism due to people visiting friends and relatives in a foreign country. We first compared the network structure of migration stocks and tourism flows between the 28 member countries of the European Union over the period 2000–2012. Then, we performed several econometric analyses to study the main tourism determinants and the correlations between migration to tourism. The paper derives from the discussion of the results an estimate of the contribution to the overall tourism phenomenon due to visiting friends and relatives. Complex network analysis and gravity models were the investigation methods preferred.

Visiting friends and relativesGeography Planning and DevelopmentNetwork structureTransportationGRAVITY MODELHUMAN MIGRATIONSettore SECS-P/06 - Economia ApplicataSettore SECS-S/06 -Metodi Mat. dell'Economia e d. Scienze Attuariali e Finanz.0502 economics and businessmedia_common.cataloged_instanceEconomic geographyEuropean unionComplex network analysisVFR TRAVELNature and Landscape Conservationmedia_commonTOURISMHuman migrationbusiness.industryMember states05 social sciencescomplex network analysis gravity model human migration tourism VFR travelGeographyInvestigation methodsEconomyTourism Leisure and Hospitality Management050211 marketingbusiness050212 sport leisure & tourismTourismCOMPLEX NETWORK ANALYSIS
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Benefits of formal voluntary work among older people. A review

2011

Background and aims: A narrative review of quantitative population-based longitudinal studies was conducted to examine the association of formal voluntary work and personal well-being among older people doing the voluntary work and those being served. Methods: To be included, the study had to be published in a peer-reviewed journal, written in English and conducted in Western countries, participants were at least 60 years of age, the study employed a longitudinal or experimental design, the methodology and outcomes were explicitly described, and voluntary work quantified as visits or hours within a certain time frame. Results: Sixteen studies out of 2897 met the inclusion criteria for the r…

VolunteersGerontologyAgingHealth StatusPopulationMEDLINElaw.inventionRandomized controlled triallawHumansformal volunteeringLongitudinal StudieseducationAgedRandomized Controlled Trials as TopicAged 80 and overeducation.field_of_studyAge FactorsLife satisfactionMiddle AgedMental healthUnited StatesNursing HomesagedChronic DiseaseWell-beingvapaaehtoistyöGeriatrics and GerontologyPsychologyPsychosocialInclusion (education)ikääntyneetAging Clinical and Experimental Research
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Eiropa vācbaltiešu acīm: ceļojumu literatūras liecības (1750-1815)

2013

Elektroniskā versija nesatur pielikumus

Vēsture filozofijaGermans (Baltic States)Europe - History (1789-1900)Europe - History (18th century)BildunsbürgertumApgaismībaVēstureVācbalti
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The Combitube, Self-Inflating Bulb, and Colorimetric Carbon Dioxide Detector to Advance Airway Management in the First Echelon of the Battlefield

2006

Combat lifesavers and Army medics are regular combat soldiers who possess skills that enable them to provide lifesaving assistance to combat casualties. Although their training is not equal to that of paramedics, combat lifesavers and Army medics are trained to assess casualties for airway obstruction, as well as the presence or absence of spontaneous ventilation. They are also familiar with the same basic airway maneuvers that are required for blind insertion of the esophageal-tracheal double-lumen airway (ETDLA). Use of the ETDLA in combination with an esophageal detector device and a colorimetric carbon dioxide detector would require skill similar to that which they already possess in pe…

WarfareSpontaneous ventilationbusiness.industrymedicine.medical_treatmenteducationPublic Health Environmental and Occupational HealthGeneral MedicineCarbon DioxideAirway obstructionmedicine.diseaseUnited StatesCarbon dioxide sensorEquipment and SuppliesCombitubeBattlefieldIntubation IntratrachealHumansMedicineColorimetryAirway managementMedical emergencyMilitary MedicineAirwaybusinessMilitary Medicine
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