Search results for "force"

showing 10 items of 3423 documents

Ferro- and Antiferromagnetic Interactions in Oxalato-Centered Inverse Hexanuclear and Chain Copper(II) Complexes with Pyrazole Derivatives.

2021

Two novel copper(II) complexes of formulas {[Cu(4-Hmpz)4][Cu(4-Hmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(ClO4)2]}n (1) and {[Cu(3,4,5-Htmpz)4]2[Cu(3,4,5-Htmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(H2O)(ClO4)]2[Cu2(3,4,5-Htmpz)4(µ-ox-κ2O1,O2:κ2O2′,O1′)]}(ClO4)4·6H2O (2) have been obtained by using 4-methyl-1H-pyrazole (4-Hmpz) and 3,4,5-trimethyl-1H-pyrazole (3,4,5-Htmpz) as terminal ligands and oxalate (ox) as the polyatomic inverse coordination center. The crystal structure of 1 consists of perchlorate counteranions and cationic copper(II) chains with alternating bis(pyrazole)(µ3-κ2O1,O2:κO2′:κO1′-oxalato)copper(II) and tetrakis(pyrazole)copper(II) fragments. The crystal structure of 2 is made up of perchlorat…

crystal structurePharmaceutical Sciencechemistry.chemical_elementCrystal structurePyrazoleOxalateArticleAnalytical ChemistryPerchloratechemistry.chemical_compoundQD241-441TheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYDrug DiscoveryAntiferromagnetismPhysical and Theoretical Chemistrypolynuclear complexesOrganic ChemistryPolyatomic ioninverse coordination chemistryoxalatoCopperpyrazoleCrystallographycoordination polymerschemistryChemistry (miscellaneous)Intramolecular forcecopperMolecular Medicinemagnetic propertiesMolecules (Basel, Switzerland)
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Stabilisation of Exotic Tribromide (Br3−) Anions via Supramolecular Interaction with A Tosylated Macrocyclic Pyridinophane. A Serendipitous Case.

2020

Tetraaza-macrocyclic pyridinophane L-Ts, decorated with a p-toluenesulfonyl (tosyl

crystal structureStackingSupramolecular chemistryPharmaceutical ScienceCrystal structureAnalytical Chemistrylcsh:QD241-441symbols.namesakechemistry.chemical_compoundlcsh:Organic chemistryTosylDrug DiscoveryPyridineHirshfeld surface analysisPhysical and Theoretical ChemistryN-heterocyclesanion- interactionsTribromideHydrogen bondOrganic Chemistryanion complexesCrystallographychemistryChemistry (miscellaneous)symbolsMolecular Medicinevan der Waals forceMolecules
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Crystal structure and absolute configuration of (3aR,3′aR,7aS,7′aS)-2,2,2′,2′-tetramethyl-3a,6,7,7a,3′a,6′,7′,7′a-octahydro-4,4′-bi[1,3-benzodioxolyl…

2017

The absolute configuration,i.e.(3aR,3′aR,7aS,7′aS), of the title compound, C18H26O4, synthesizedviaa palladium-catalyzed homocoupling reaction, was determined on the basis of the synthetic pathway and was confirmed by X-ray diffraction. The homocoupled molecule is formed by two chemically identical moieties built up from two five- and six-membered fused rings. The supramolecular assembly is controlled mainly by C—H...O interactions that lead to the formation of hydrogen-bonded chains of molecules along the [001] direction, while weak dipolar interactions and van der Waals forces hold the chains together in the crystal structure.

crystal structureStereochemistryCrystal structure010402 general chemistry01 natural sciencesCatalysislcsh:Chemistrysymbols.namesakepalladium-catalyzedGeneral Materials Sciencebiology13-benzodioxolyl010405 organic chemistryChemistryAbsolute configurationGeneral ChemistryCondensed Matter Physicsbiology.organism_classification0104 chemical sciencesabsolute configurationCrystallographylcsh:QD1-999homocoupling reactionsymbolsTetravan der Waals forceActa Crystallographica Section E Crystallographic Communications
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1,1′-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)

2017

The title compound, C18H36N2P2, crystallizes in the triclinic space groupP-1 with two independent molecules in the asymmetric unit. Both molecules adopt atransconfiguration of the tetramethylpiperidine units along the P=P axis. The crystal packing is stabilized only by van der Waals interactions.

crystal structurebiologyChemistryStereochemistryDiphospheneCrystal structureTriclinic crystal system010402 general chemistry010403 inorganic & nuclear chemistrybiology.organism_classification01 natural sciencesMedicinal chemistry0104 chemical scienceslow-coordinate trivalent phosphorusCrystalchemistry.chemical_compoundsymbols.namesakeTrans configurationsymbolslcsh:QD901-999TetradiphosphenePiperidinelcsh:Crystallographyvan der Waals forceIUCrData
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1,1′-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine

2018

The asymmetric unit of the title compound, C22H36N2, comprises one half-molecule, the other half being generated by a center of inversion. The piperidine ring adopts a chair conformation, with the exocyclic N—C bond in an equatorial orientation. A short intramolecular C—H...N hydrogen bond occurs and forms an S(6) motif. No directional interactions beyond van der Waals contacts are observed between the molecules, which form a wave-like supramolecular architecture.

crystal structurebiologyHydrogen bondpiperidine-substituted dureneCyclohexane conformationCrystal structure010402 general chemistry010403 inorganic & nuclear chemistrybiology.organism_classificationRing (chemistry)01 natural sciencesMedicinal chemistry0104 chemical sciencesintramolecular C—H...N hydrogen bondsymbols.namesakechemistry.chemical_compoundchemistrysymbolslcsh:QD901-999TetraPiperidinelcsh:Crystallographyvan der Waals forceEne reactionIUCrData
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Crystal structure of (E)-2-(tert-butyl­amino)-4-(tert-butyl­imino)­naphthalen-1(4H)-one

2018

The title compound is the first example of a naphtho­quinone imine derivative crystallizing in the 4-imine/2-amine tautomeric form having bulky tert-butyl substituents at the N atoms.

crystal structureintra­molecular hydrogen bondingIminenaphthoquinoneCrystal structure010402 general chemistry01 natural sciencesMedicinal chemistryResearch Communicationslcsh:Chemistrychemistry.chemical_compoundsymbols.namesakeGeneral Materials ScienceIntra­molecular hydrogen bondingAlkylchemistry.chemical_classificationintramolecular hydrogen bonding010405 organic chemistryHydrogen bondCrystal structurenaphtho­quinoneGeneral ChemistryCondensed Matter PhysicsTautomer0104 chemical scienceslcsh:QD1-999chemistryNaphtho­quinonesymbols540 QuímicaAmine gas treatingN—H...O hydrogen bondingvan der Waals forceDerivative (chemistry)N—H⋯O hydrogen bondingActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of 4-(4-meth-oxy-phen-yl)-4',4'-dimethyl-3-p-tolyl-3',4'-di-hydro-1'H,3H-spiro-[isoxazole-5,2'-naphthalen]-1'-one.

2015

In the title compound, C28H27NO3, the cyclohexanone and isoxazole rings have envelope conformations, with the methylene and spiro C atoms as the flaps, respectively. The mean plane of the isoxazole ring is inclined slightly to thep-tolyl ring, making a dihedral angle of 14.20 (9)°, and is nearly perpendicular to the mean plane through the tetralone moiety and to the methoxyphenyl ring [dihedral angles = 83.41 (8) and 72.12 (9)°, respectively]. The crystal packing is stabilized mainly by van der Waals forces.

crystal structureisoxazoleGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Data Reportstetra­loneCrystallcsh:ChemistryCrystallographychemistry.chemical_compoundsymbols.namesaketetralonechemistrylcsh:QD1-999TetralonesymbolsMoietyGeneral Materials ScienceIsoxazolevan der Waals forceActa crystallographica. Section E, Crystallographic communications
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The use of artificial intelligence in customer relationship management

2020

Tässä kandidaatintutkielmassa tutkitaan tapoja, joilla tekoälyä hyödynnetään asiakkuudenhallinnassa. Tekoäly on viime vuosina kasvattanut suosiotaan merkittävästi, jonka vaikutuksena se on kehittynyt entisestään hyödyllisemmäksi teknologiaksi. Tekoälyn käyttö kasvaa jatkuvasti, ja asiakkuudenhallinta on yksi ajankohtaisista alueista, johon tätä merkittävää teknologiaa hyödynnetään. Tämän tutkielman tarkoitus on vastata kysymyksiin miksi, ja miten tekoälyä käytetään asiakkuudenhallinnassa. Sen lisäksi tutkielma tarkastelee aiheeseen kriittisesti liittyvää yritystä nimeltään Salesforce ja sen tarjoamaa tekoälyä, Einsteinia. Tutkielma on toteutettu kirjallisuuskatsauksena. Tutkielman tuloksena…

customer relationship managementSalesforceasiakkuudenhallintatekoälyartificial intelligence
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Speed control of the V2 skating technique in elite cross-country skiers

2016

The aim was to examine how skiers control skiing speed using V2-skating. Subjects skied with three submaximal and maximal speeds on 100 m 4° uphill. Cycle variables and force parameters form the arms and legs were analysed. Cycle rate increased up to the maximum speed. Cycle length increased from the slowest speed to the all other speeds. Pole force and delta leg force increased up to the maximum speed. Ranges of motions and angular velocities of kick flexion and extension with knee and hip joints increased till highest submaximal speed. Speed was regulated with cycle length and rate while the latter was dominant after ∼5.0 m/s. Higher speed was reached with higher forces from arms and leg…

cycle characteristicsmedicine.medical_specialtyElectronic speed controlCross countryspeed adaptations030229 sport sciencesjoint kinematics03 medical and health sciences0302 clinical medicinePhysical medicine and rehabilitationleg forcesElitemedicineta315cross-country skiingpole forces030217 neurology & neurosurgerySocial Sciences (miscellaneous)MathematicsInternational Journal of Sports Science & Coaching
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Time-domain effective-one-body gravitational waveforms for coalescing compact binaries with nonprecessing spins, tides and self-spin effects

2018

We present TEOBResumS, a new effective-one-body (EOB) waveform model for nonprecessing (spin-aligned) and tidally interacting compact binaries.Spin-orbit and spin-spin effects are blended together by making use of the concept of centrifugal EOB radius. The point-mass sector through merger and ringdown is informed by numerical relativity (NR) simulations of binary black holes (BBH) computed with the SpEC and BAM codes. An improved, NR-based phenomenological description of the postmerger waveform is developed.The tidal sector of TEOBResumS describes the dynamics of neutron star binaries up to merger and incorporates a resummed attractive potential motivated by recent advances in the post-Newt…

data analysis methodneutron star: binaryGravitational waves effective-one-bodyAstronomyBinary numberFOS: Physical sciencesalternative theories of gravityGeneral Relativity and Quantum Cosmology (gr-qc)Parameter spacegravitational radiation: direct detection01 natural sciencesGeneral Relativity and Quantum CosmologyNumerical studies of other relativistic binaries; Neutron stars; black holes (astrophysics); Gravitational wavesNeutron starsGravitational wavesGravitationBinary black holebinary: coalescence0103 physical sciencesnumerical methodsblack holes (astrophysics)010306 general physicsGeneral Relativity and Quantum Cosmology; General Relativity and Quantum Cosmologyequation of statePhysics010308 nuclear & particles physicsNumerical studies of other relativistic binarieshigher-order: 0spin: effectGravitational Waves analytical template modeling LIGO Virgo numerical relativity Neutron Stars parameter estimationRadiusbinary: compactLIGOgravitational radiation detectorComputational physicsFIS/02 - FISICA TEORICA MODELLI E METODI MATEMATICIdetector: sensitivityNeutron starNumerical relativityblack hole: binaryGeneral relativityrelativity theorygravitation: self-force[PHYS.GRQC]Physics [physics]/General Relativity and Quantum Cosmology [gr-qc]effective-one-body
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