Search results for "upper"

showing 10 items of 987 documents

Transition state theory thermal rate constants and RRKM-based branching ratios for the N((2)D) + CH(4) reaction based on multi-state and multi-refere…

2012

International audience; Multireference single and double configuration interaction (MRCI) calculations including Davidson (+Q) or Pople (+P) corrections have been conducted in this work for the reactants, products, and extrema of the doublet ground state potential energy surface involved in the N(2D) + CH4 reaction. Such highly correlated ab initio calculations are then compared with previous PMP4, CCSD(T), W1, and DFT/B3LYP studies. Large relative differences are observed in particular for the transition state in the entrance channel resolving the disagreement between previous ab initio calculations. We confirm the existence of a small but positive potential barrier (3.86 +/- 0.84 kJ mol-1…

N(D-2)ThermodynamicsUPPER-ATMOSPHERE010402 general chemistry01 natural sciencesATOMSMOLECULESTransition state theoryMETHANEReaction rate constantAb initio quantum chemistry methodsN(2(2)D)0103 physical sciencesDESCENTPOTENTIAL-ENERGY SURFACES[PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]RRKM theorySIZE-EXTENSIVE MODIFICATION010304 chemical physicsElectronic correlationChemistryGeneral ChemistryConfiguration interaction0104 chemical sciencesComputational Mathematics[ PHYS.PHYS.PHYS-AO-PH ] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Potential energy surfaceAtomic physicsGround stateJournal of computational chemistry
researchProduct

Preliminary-Analysis of the Pentad of 13CH4 from Raman and Infrared-Spectra

1991

0022-2852

NU-4VIBRATIONAL POLYADSSPECTROSCOPYMETHANENU-2GROUND-STATE2-NU-4 BANDSINTERACTING UPPER STATESROTATIONAL ANALYSISTETRAHEDRAL MOLECULESLINE PARAMETERS
researchProduct

The Gravettian occipital bone from the site of Malladetes (Barx, Valencia, Spain)

2002

Abstract The juvenile occipital bone from the site of Malladetes in Valencia (Spain) is described and compared with other European Pleistocene representatives of the genus Homo . This specimen derives from a Gravettian cultural context and has been AMS radiocarbon-dated to 25,120±240 years bp . As such, it provides evidence on early modern human anatomy from the Central Mediterranean region of the Iberian peninsula. The clear evidence for a late survival of Neandertals in southern Iberia, has led to considerable debate surrounding the biological and cultural interactions between these Pleistocene humans and their early modern human successors, and it is within this context that the Malladet…

NeanderthalAdolescentPleistoceneContext (language use)Mosaiclaw.inventionPaleontologylawPeninsulabiology.animalmedicineAnimalsHumansRadiocarbon datingChildPhylogenyEcology Evolution Behavior and SystematicsgeographyCultural Characteristicsgeography.geographical_feature_categorybiologyFossilsHominidaeArchaeologySkullGenetics Populationmedicine.anatomical_structureChild PreschoolOccipital BoneAnthropologyUpper PaleolithicJournal of Human Evolution
researchProduct

The evolution and changing ecology of the African hominid oral microbiome

2021

Significance The microbiome plays key roles in human health, but little is known about its evolution. We investigate the evolutionary history of the African hominid oral microbiome by analyzing dental biofilms of humans and Neanderthals spanning the past 100,000 years and comparing them with those of chimpanzees, gorillas, and howler monkeys. We identify 10 core bacterial genera that have been maintained within the human lineage and play key biofilm structural roles. However, many remain understudied and unnamed. We find major taxonomic and functional differences between the oral microbiomes of Homo and chimpanzees but a high degree of similarity between Neanderthals and modern humans, incl…

Neanderthalbindinggut microbiomemicrobiomeprimatePrehistòriaNeanderthalEvolutionsbiologiPrimatesalivary amylasePhylogeny0303 health sciencesMultidisciplinaryEcologyGeographybiologyEcologyMicrobiotaHuman microbiomeancientHominidae402SH6_2Biological SciencesBiological Evolutiongenomes suggestHuman evolution[SDE]Environmental SciencesOral MicrobiomeR-packagePan troglodytesdental plaque[SHS.ARCHEO]Humanities and Social Sciences/Archaeology and PrehistoryEcology (disciplines)Socio-culturaleMicrobiologysalivary alpha-amylase03 medical and health sciencesbiology.animalDental calculus; microbiome; Neanderthal; primate; salivary amylaseAnimalsHumansMicrobiomevisualization030304 developmental biologyMouthperiodontal-diseaseEvolutionary BiologyGorilla gorillaBacteria030306 microbiologydental calculusDNAMikrobiologiBiofilmsFOS: Biological sciencesAnthropologyAfricaUpper PaleolithicMetagenome
researchProduct

Clues to the nature of the impacting bodies from platinum-group elements (rhenium and gold) in borehole samples from the Clearwater East crater (Cana…

1997

— Seven large (10 g) impact melt rock samples from boreholes from the Boltysh impact crater (Ukraine) and six samples from the East Clearwater crater (Canada) were analyzed for Os, Ir, Ru, Rh, Pd, Re and Au by the nickel sulfide technique in combination with neutron activation. Earlier analyses of Clearwater East impact melt rocks have shown that they are strongly enriched in Ir, Os, Pd and Re. In this work, I confirm earlier findings and demonstrate similarly high enrichments of Rh and Ru. The average Os/Ir, Ru/Ir, Pd/Ir, Rh/Ir and Ru/Rh ratios of the melt rock samples from Clearwater East are CI-chondritic and yield an average Ir content of 25.2 ± 6.5 ng/g relative to an average upper cru…

Nickel sulfideBoreholeMineralogychemistry.chemical_elementRheniumPlatinum groupchemistry.chemical_compoundGeophysicsImpact craterchemistrySpace and Planetary ScienceUpper crustRefractory (planetary science)GeologyNeutron activationMeteoritics & Planetary Science
researchProduct

LCRT: A ToA Based Mobile Terminal Localization Algorithm in NLOS Environment

2009

©2009 IEEE. Personal use of this material is permitted. However, permission to reprint/republish this material for advertising or promotional purposes or for creating new collective works for resale or redistribution to servers or lists, or to reuse any copyrighted component of this work in other works must be obtained from the IEEE. Article also available from publisher: http://dx.doi.org/10.1109/VETECS.2009.5073644 Non line-of-sight (NLOS) propagation in range measurement is a key problem for mobile terminal localization. This paper proposes a low computational residual test (LCRT) algorithm that can identify the number of line-of-sight (LOS) transmissions and reduce the computational com…

Non-line-of-sight propagationTime of arrivalComputational complexity theoryVDP::Technology: 500::Information and communication technology: 550::Telecommunication: 552Range (statistics)Probability density functionResidualCramér–Rao boundAlgorithmUpper and lower boundsMathematics
researchProduct

A kriging interpolation strategy for the optimization of Acidithiobacillus ferrooxidans biomass production using fed-batch bioreactors

2008

In this work, a procedure for the optimization of Acidithiobacillus ferrooxidans biomass production in fed-batch reactors using a model based on optimal spatial interpolation of experimental data is proposed. The approach is useful in those cases where specific growth and substrate consumption rates are unknown. Based on interpolation, the optimal values of biomass and substrate concentrations set points are obtained at the minimum of 2-dimensional cost function. In the fed-batch reactor biomass and substrate concentrations are controlled at their set points by changing the input flow and its concentration. We propose a minimum variance control strategy which improves the classical proporti…

Nonlinear systemMinimum-variance unbiased estimatorChemistryKrigingMaterials ChemistryMetals and AlloysBiomassFunction (mathematics)Biological systemUpper and lower boundsIndustrial and Manufacturing EngineeringInterpolationMultivariate interpolationHydrometallurgy
researchProduct

Force normalization in paraplegics.

2012

The principal aim of our study was the determination of the effectiveness of a standardized ratio, allometric scaling model and a gamma function model in normalizing the isometric torque data of spinal cord patients and healthy subjects. For this purpose we studied a sample of 21 healthy males and 23 spinal cord injury males. The experiment consisted of the measurement of the force of the upper limb movement executed by all the subjects. We also determined anthropometric variables with dual-energy x-ray absorptiometry. The experimental data were analyzed with 3 force normalization methods. Our results indicate that the most important confounding variable was the fat free mass of the dominan…

Normalization (statistics)AdultMaleIsometric torquePhysical Therapy Sports Therapy and RehabilitationModels BiologicalUpper ExtremityAbsorptiometry PhotonmedicineBody SizeHumansOrthopedics and Sports MedicineMuscle StrengthMuscle SkeletalSpinal cord injurySpinal Cord InjuriesOrthodonticsParaplegiaAnthropometrybusiness.industryConfoundingHealthy subjectsAnthropometrymedicine.diseaseSpinal cordmedicine.anatomical_structureTorqueBody CompositionUpper limbbusinessInternational journal of sports medicine
researchProduct

Large two-dimensional electronic systems: Self-consistent energies and densities at low cost

2013

We derive a self-consistent local variant of the Thomas-Fermi approximation for (quasi-) two-dimensional (2D) systems by localizing the Hartree term. The scheme results in an explicit orbital-free representation of the electron density and energy in terms of the external potential, the number of electrons, and the chemical potential determined upon normalization. We test the method over a variety 2D nanostructures by comparing to the Kohn-Sham 2D local-density approximation (LDA) calculations up to 600 electrons. Accurate results are obtained in view of the negligible computational cost. We also assess a local upper bound for the Hartree energy. Peer reviewed

Normalization (statistics)Electron densityThomas-Fermi approximationta221educationFOS: Physical sciencesquantum dotsElectron114 Physical sciencesUpper and lower boundsCondensed Matter - Strongly Correlated ElectronsQuantum mechanicsMesoscale and Nanoscale Physics (cond-mat.mes-hall)Electronic systemsta218density functional theoryPhysicsta214ta114Condensed Matter - Mesoscale and Nanoscale PhysicsStrongly Correlated Electrons (cond-mat.str-el)HartreeCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsComputational physicsorbital free functionalQuantum dotDensity functional theory
researchProduct

First Results on the Scalar WIMP-Pion Coupling, Using the XENON1T Experiment

2018

We present first results on the scalar coupling of weakly interacting massive particles (WIMPs) to pions from 1 t yr of exposure with the XENON1T experiment. This interaction is generated when the WIMP couples to a virtual pion exchanged between the nucleons in a nucleus. In contrast to most nonrelativistic operators, these pion-exchange currents can be coherently enhanced by the total number of nucleons and therefore may dominate in scenarios where spin-independent WIMP-nucleon interactions are suppressed. Moreover, for natural values of the couplings, they dominate over the spin-dependent channel due to their coherence in the nucleus. Using the signal model of this new WIMP-pion channel, …

Nuclear TheoryPhysics::Instrumentation and DetectorsNuclear TheoryGeneral Physics and Astronomy01 natural sciencesHigh Energy Physics - ExperimentHigh Energy Physics - Experiment (hep-ex)High Energy Physics - Phenomenology (hep-ph)WIMPPions[PHYS.HEXP]Physics [physics]/High Energy Physics - Experiment [hep-ex]Nuclear ExperimentS030UDMPhysicsStarke Wechselwirkung und exotische Kerne – Abteilung BlaumAstrophysics::Instrumentation and Methods for AstrophysicsnucleonsuppressionHigh Energy Physics - PhenomenologyWeakly interacting massive particlesmedicine.anatomical_structureWeakly interacting massive particlesNucleonCoherence (physics)Astrophysics - Cosmology and Nongalactic AstrophysicsWIMP nucleon: interactionParticle physicsCosmology and Nongalactic Astrophysics (astro-ph.CO)[PHYS.NUCL]Physics [physics]/Nuclear Theory [nucl-th]FOS: Physical sciencesWIMP: massspin: dependenceGravitation and Astrophysicsoperator: nonrelativisticDark matter Particle dark matter Pions Weakly interacting massive particles Dark matter detectorsNuclear Theory (nucl-th)PionParticle dark matter0103 physical sciencesmedicineDark mattercross section: upper limit010306 general physicsCouplingDark matter detectorsnucleusScalar (physics)coherenceDark Matter WIMP-Pion coupling Xenon Direct seartch[PHYS.HPHE]Physics [physics]/High Energy Physics - Phenomenology [hep-ph]High Energy Physics::Experiment[PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]Nucleus
researchProduct