Search results for "Oct"

showing 10 items of 3052 documents

Thermodynamic and spectroscopic study of the binding of dimethyltin(IV) by citrate at 25°C

2006

Thermodynamic (potentiometric and calorimetric) and spectroscopic ( 1 H NMR, 119 Sn Mossbauer) studies were performed in aqueous solution in order to characterize the interaction of dimethyltin(IV) cation with citrate ligand. Six species {(CH 3 ) 2 Sn(cit) - ; [(CH 3 ) 2 Sn] 2 (cit) 2 2- ; (CH 3 ) 2 Sn(cit)H 0 ; (CH 3 ) 2 Sn(cit)OH 2- ; [(CH 3 ) 2 Sn] 2 (cit)OH 0 ; [(CH 3 ) 2 Sn] 2 (cit)(OH) 2 - } were found. All the species formed in this system are quite stable and formation percentages are fairly high. For example, at pH = 7.5 and C (CH3)2Sn = C cit = 10 mmol l -1 , E% for [(CH 3 ) 2 Sn] 2 (cit)(OH) 2 - and (CH 3 ) 2 Sn(cit)OH 2- species reaches 65%. Overall thermodynamic parameters obta…

spectroscopyAqueous solutionthermodynamic propertiesdimethyltin(IV) complexesChemistryLigandStereochemistryPotentiometric titrationthermodynamic propertiethermodynamic properties; calorimetry; spectroscopy; potentiometry; dimethyltin(IV) complexesGeneral ChemistryTricarboxylateInorganic ChemistryMetalOctahedronpotentiometryvisual_artMössbauer spectroscopyvisual_art.visual_art_mediumProton NMRPhysical chemistrySettore CHIM/01 - Chimica Analiticacalorimetry
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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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Evaluación de los resultados de la Esfinteroplastia Anatómica mediante la reconstrucción combinada del esfínter anal interno y externo en el tratamie…

2021

La esfinteroplastia es utilizada para tratar la incontinencia anal secundaria a un defecto esfinteriano. Esta técnica muestra una efectividad alrededor del 75% a corto plazo, deteriorándose su resultado en el tiempo al 50%. Se han publicado resultados mostrando un 80% de éxito tras introducir la realización de la reparación por separado del esfínter anal interno y externo y viendo que estos resultados se mantenían a largo plazo. Sin embargo, la técnica no se ha extendido y se necesitan más estudios para confirmar estos resultados. Hipótesis y Objetivos: La introducción de modificaciones en la técnica quirúrgica desde una mentalidad anatómica y reconstructiva, que hemos denominado: “Esfinter…

suelo pélvicoesfinteroplastiaproctologíaUNESCO::CIENCIAS MÉDICAS ::Cirugía ::Proctología:CIENCIAS MÉDICAS ::Cirugía ::Proctología [UNESCO]incontinenciaesfínter anal
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Synthesis and selected properties of metallo and metal-free 2,3,9,10,16,17,23,24-octacarboxyphthalocyanines

2015

This review article reports methods of synthe sis and selected physicochemical properties of metallo and metal-free 2,3,9,10,16,17,23,24–octacarboxyphthalocyanines. The most frequently used methods of synthesis for this class of co mpounds are described in this article. Moreover, aggregation, catalytic and photocatalytic properties of these complexes are presented. Potential applications of metallo and metal-free 2,3,9,10,16,17,23,24–octacarboxyphthalocyanines are also given.

synthesisabsorption spectraapplicationsChemistry3Organic Chemistryaggregation1724-octacarboxyphthalocyanines16Combinatorial chemistry10Catalysis23catalytic and photocatalytic activitylcsh:QD241-441Metal freelcsh:Organic chemistryPhotocatalysismetallo and metal-free 29ARKIVOC : Archive for Organic Chemistry
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Ubezpieczenia społeczne doktorantów szkół doktorskich

2020

Th e reform of the doctoral student education system, resulting in a departure from conducting third degree studies in favour of doctoral schools, resulted in changes in the fi eld of social security law. Th e status of a doctoral student receiving a doctoral scholarship has become independent grounds for compulsory retirement, disability and accident insurance. At the same time, it is the basis for voluntary sickness insurance. Th e author criticises the granting of doctoral students the right to acquire cover under this type of insurance. Th eir actual situation when receiving a doctoral scholarship is far diff erent from the situation of other persons (grounds) covered by sickness insura…

szkoły doktorskiedoctoral studentsocial insurancestipenddoktorantubezpieczenia społecznedoctoral schoolsstypendiumBiałostockie Studia Prawnicze
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On the motivations to enroll in doctoral studies in Computer Science — A comparison of PhD program models

2013

While student motivation has been intensively researched, only a few studies cover motivation at doctoral level and even less focus on doctoral education in Computer Science. In this paper we investigate the motivation of graduate students to pursue doctoral studies specifically in Computer Science. We interviewed 63 doctoral students, from two different doctoral models (traditional and structured) in Finland and Austria, on their initial reasons and experiences that led them to enroll in doctoral studies. We identified five disjoint main motivational drivers that relate with different aspects of extrinsic and intrinsic motivation. Together with a measure of the strength of their initial mo…

ta113Graduate studentsComputer scienceDoctoral studiesPedagogyMathematics educationIntrinsic motivationta516Doctoral educationComputer aided instruction2013 12th International Conference on Information Technology Based Higher Education and Training (ITHET)
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Estado de la investigación psicológica en España: el grado de doctor y la

2001

El objetivo del presente trabajo es dar a conocer el desarrollo de las tesis doctorales en psicología en los últimos años (1976-1998) en las diferentes universidades españolas. Los datos que presentaremos indican un incremento en la investigación en las diferentes áreas de la psicología específicamente las relacionadas con la psicología clínica y la psicología educativa. Asimismo, se observa el fuerte incremento producido en el número de tesis doctorales a partir de 1990. Éstos y otros análisis son los que presentaremos a lo largo de este trabajo. The aim of present study is to reflect the situation of scientific activity in psychology in the last decades (1976-1998) throught diferents doct…

tesis doctoralesinvestigaciónEspaña:PSICOLOGÍA [UNESCO]UNESCO::PSICOLOGÍApsicologia
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CCDC 947463: Experimental Crystal Structure Determination

2013

Related Article: Anssi Peuronen, Esa Lehtimäki, and Manu Lahtinen|2013|Cryst.Growth Des.|13|4615|doi:10.1021/cg401246n

tetrakis(11'1''-(Benzene-135-triyltris(methylene))tris(4-aza-1-azoniabicyclo[2.2.2]octane)) tris(oxonium) pentadecakis(hexafluorophosphate) nonahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 157094: Experimental Crystal Structure Determination

2001

Related Article: M.Bujak, J.Zaleski|2000|J.Mol.Struct.|555|179|doi:10.1016/S0022-2860(00)00600-1

tetrakis(Tetramethylammonium) tetrakis(mu~4~-chloro)-bis(mu~3~-chloro)-tetrakis(mu~2~-chloro)-octadecachloro-octa-antimonate(iii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 250457: Experimental Crystal Structure Determination

2005

Related Article: L.M.Toma, R.Lescouezec, D.Cangussu, R.Llusar, J.A.Mata, S.Spey, J.A.Thomas, F.Lloret, M.Julve|2005|Inorg.Chem.Commun.|8|382|doi:10.1016/j.inoche.2004.12.031

tetrakis(Tetraphenylarsonium) tetrakis(mu~2~-cyano)-octacyano-bis(bis(2-pyridylcarbonyl)amido)-di-copper(ii)-di-iron(iii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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