Sample records for CORRELACION ELECTRONICA (electron correlation)
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1

UN NUEVO VECTOR EN LA ESTRUCTURA DEL INDICE TOPOLOGICO DE H. P. SCHULTZ

Cornwell, E.
2000-12-01

Resumen en español Un nuevo vector (Vc) se propone para estructura el índice de H.P. Schultz (2-MTI). Este vector contiene elementos que corresponden a la densidad de carga electrónica soportada en el átomo de carbono de la molécula y da origen a un nuevo índice topológico denominado Cor. El índice Cor presenta una mayor correlación con los logaritmos de los tiempos de retención relativos de 30 hidrocarburos saturados que los índices de H.P.Schultz H. Wiener, A.T. Balaban Resumen en inglés A new vector (Vc) is proposal for structure the topological index of H.P. Schultz (2-MTI). This vector contain elements that correspond to the electron charge density soported on the carbon atoms of the molecule and originate the new topological index denominated Cor. The Cor index present a bigger correlation with the logarithm of the relative retention time of 30 saturated hydrocarbons than the H.P. Schultz, H. Wiener and A.T. Balaban index

Scientific Electronic Library Online (Spanish)

2

ESTUDIO TEORICO DE LA POLARIZABILIDAD MOLECULAR EN TRIAFULVENO Y COMPUESTOS ANALOGOS

Alvarado, Ysaias; Cubillan, Nestor; Soscun, Heverest; Soscun, Humberto; Osorio, Eudo; Vallejo, Regina
2000-09-01

Resumen en español El triafulveno H2C3-CH2 es el compuesto más simple que presenta conjugación cruzada no alternante. En el presente trabajo se expone un estudio teórico Ab Initio a nivel Hartree-Fock (HF) de la polarizabilidad molecular de triafulveno y análogos del tipo C3H2-X, donde X = O y S. Adicionalmente se evaluaron los efectos de correlación electrónica empleando Teoría de Perturbaciones de segundo orden Mfller-Plesset (MP2) y Funcional de la densidad con el funcional híbri (mas) do BLYP. Los cálculos fueron realizados con estructuras optimizadas siguiendo restricciones de simetría C2v y con los conjuntos base STO/6-31+G(d,p), STO/6-31+G(3d,3p) y el conjunto base de Sadlej. Los resultados de propiedades estructurales y electrónicas obtenidos para el triafulveno (metilénciclopropeno) reproducen los valores reportados en la literatura. La inclusión de correlación electrónica a nivel MP2 tiene importantes efectos sobre la polarizabilidad promedio dependiendo del conjunto base con el cual se evalúe. La polarizabilidad obtenida mediante la Teoría del Funcional de la Densidad mostró la misma tendencia indicando la importancia del conjunto base en el cálculo de esta propiedad Resumen en inglés Triafulvene H2C3-CH2 is the most simplest compound with non-alternant cross-conjugation property. In the present work, we report an Ab Initio study at Hartree Fock (HF) level of theory of the molecular polarizability of C3H2-X, where X = O and S. Additionally, electronic correlation effects were evaluated by using Mfller-Plesset Theory with Second Order Perturbation (MP2) and Density Functional Theory with Hybrid functional BLYP. Calculations were performed with C2v symme (mas) try restrictions by using the standard STO/6-31+G(d,p), STO/6-31+G(3d,3p) and the Sadlej basis set. The results for the structural and electronic properties calculated for triafulvene are in good agreement with the corresponding values reported in the literature. Electron correlation at MP2 level affects significantly the HF average polarizability of this molecule, depending of the basis set. Density Functional Theory calculations show similar trends, indicating the basis set importance

Scientific Electronic Library Online (Spanish)

3

Visualization of proteins in intact cells with a clonable tag for electron microscopy

Diestra, Elia; Fontana, Juan; Guichard, Paul; Marco, Sergio; Risco, Cristina
2009-01-01

Digital.CSIC (Spain)

4

Type of plasmas and microstructures of TiO2 thin films prepared by plasma enhanced chemical vapor deposition

Borrás Martos, Ana Isabel; Cotrino, José; González-Elipe, Agustín R.
2007-10-22

Digital.CSIC (Spain)

5

Tribological behaviour of titanium carbide/amorphous carbon nanocomposite coatings: From macro to the micro-scale

Sánchez López, Juan Carlos; Martínez-Martínez, D.; López Cartes, C.; Fernández Camacho, Asunción
2008-05-15

Digital.CSIC (Spain)

6

Transition-state spectroscopy of the photoinduced Ca + CH3F reaction. 3. Reaction following the local excitation to Ca(4s3d 1D)

Gloaguen, Eric; Sanz, Cristina; Collier, M.; Gaveau, M.-A.; Soep, B.; Roncero, Octavio; Mestdagh, J.-M.
2008-01-31

Digital.CSIC (Spain)

7

Thrombin-Binding Aptamer Quadruplex Formation: AFM and Voltammetric Characterization

Diculescu, Victor Constantin; Chiorce-Paquim, Ana-Maria; Eritja Casadellà, Ramón; Oliveira-Bret, Ana Maria
2010-01-01

Digital.CSIC (Spain)

8

The van der Waals potential energy surfaces and structures of He–ICl and Ne–ICl clusters

Prosmiti, Rita; Cunha, Carlos; Villarreal, Pablo; Delgado Barrio, Gerardo
2002-10-15

Digital.CSIC (Spain)

9

The nuclear structure of Th-229

Gulda, K.; Kurcewicz, W.; Aas, A. J.; García Borge, María José; Burke, D. G.; Fogelberg, B.; Grant, I. S.; Hagebø, E.; Kaffrell, N.; Kvasil, J.; Løvhøiden, G.; Mach, H.; Mackova, A.; Martínez, T.; Nyman, G.; Rubio, Berta; Taín, José Luis; Tengblad, Olof; Thorsteinsen, T. F.
2002-05-20

Digital.CSIC (Spain)

10

The nuclear structure of Fr-227

Kurcewicz, W.; Grant, I. S.; Gulda, K.; Aas, A. J.; Billowes, J.; García Borge, María José; Burke, D. G.; Butler, P. A.; Cocks, J. F. C.; Fogelberg, B.; Freeman, S. J.; Jones, G. D.; Hagebø, E.; Hoff, P.; Hønsi, J.; Lindroth, A.; Løvhøiden, G.; Mach, H.; Martinez, T.; Naumann, R. A.; Nybø, K.; Nyman, G.; Ravn, H.; Rubio, Berta; Simpson, J.; Smith, A. G.; Smith, J. F.; Steffensen, K.; Taín, José Luis; Tengblad, Olof; Thorsteinsen, T. F.
1997-08-18

Digital.CSIC (Spain)

12

The influence of lipid and lifestyle factors upon correlations between highly prevalent organochlorine compounds in patients with exocrine pancreatic cancer

Porta, Miquel; Grimalt, Joan O.; Jariod, Manuel; Ruiz, Laura; Marco Asensio, Esther; López, Tomàs; Malats, Núria; Puigdomènech, Elisa; Zumeta, Ekhine
2007-06-15

Digital.CSIC (Spain)

13

The SIESTA method for ab initio order-N materials simulation

Soler, José M.; Artacho, Emilio; Gale, Julian D.; García, Alberto; Junquera, Javier; Ordejón, Pablo; Sánchez-Portal, Daniel
2002-03-08

Digital.CSIC (Spain)

14

Tau spin correlations and the anomalous magnetic moment

Bernabéu, José; Gonzalez-Springberg, G.A.; Vidal, Jorge
2009-01-22

Digital.CSIC (Spain)

15

Tailored synthesis of nanostructured WC/a-C coatings by dual magnetron sputtering

Abad Roldán, Manuel David; Muñoz-Márquez, Miguel Ángel; El Mrabeta, Said; Justo, Ángel; Sánchez-López, Juan Carlos
2010-01-01

Digital.CSIC (Spain)

16

SÍNTESIS DE ÓXIDOS TIPO PEROVSKITA MEDIANTE POLIMERIZACIÓN CON ÁCIDO CÍTRICO Y PROPIÓNICO/ SYNTHESIS OF PEROVKITE TYPE OXIDES BY POLYMERIZATION WITH CITRIC AND PROPIONIC ACID/ PEROVSKITAS TIPO ÓXIDO SÍNTESE POR POLIMERIZAÇÃO COM ÁCIDO CÍTRICO E PROPIÓNICO

Gómez-Cuaspud, Jairo A.; Valencia-Ríos, Jesús S.
2009-08-01

Resumen en portugués Este trabalho descreve a preparação do Perovskitas La0,75Sr0,25Co0,5Fe0,5O3 (LaSrCoFeO), utilizando uma via húmida química, através da polimerização do ácido cítrico e ácido propiônico, a obtenção de materiais para aplicações potenciais como membranas purificação materiais e eletrodos de oxigênio em células combustíveis Óxido Sólido (SOFC), pois o sólidos foram caracterizados por difração de raios X (XRD) ea microscopia eletrônica de varredura (M (mas) EV), obtendo informações sobre a formação ea pureza dos fases, morfologia, estrutura e propriedades superficiais de cada sistema, indicando que é possível obter sólidos com uma distribuição homogénea de grão, textura e relevo características, em cujo contexto, o método que envolve a polimerização com ácido cítrico apresentaram os melhores resultados. No seu conjunto, a composição foi determinada por microanálise de raios-X de energia dispersiva (EDX), indicando uma boa correlação entre as composições obtidas e propostas. A caracterização realizada, sugerem a presença de pequenas quantidades de carbono e alguns óxidos de lantânio, estrôncio e cobalto como principais poluentes, especialmente na amostra obtida por polimerização com ácido propiônico. Resumen en español En este trabajo se describe la preparación de la perovskita La0,75Sr0,25Co0,5Fe0,5O3 (LaSrCoFeO), empleando una ruta de química húmeda, mediante la polimerización con ácido cítrico y propiónico, con el propósito de obtener materiales para potenciales aplicaciones como membranas de purificación de oxígeno y como materiales electródicos en celdas de combustible de óxido sólido (SOFC). Para ello, los sólidos se caracterizaron mediante difracción de rayos X (DR (mas) X) y microscopia electrónica de barrido (SEM), con lo que se obtuvo información sobre la formación y pureza de fases, la morfología, la estructura y las propiedades superficiales de cada sistema, indicando que es posible obtener sólidos con una distribución de grano homogéneo, textura y relieve característicos, en cuyo contexto el método que involucra la polimerización con ácido cítrico mostró los mejores resultados. La composición global se determinó mediante microanálisis de rayos X de energía dispersiva (EDX), y se señaló una buena concordancia entre las composiciones propuestas y obtenidas. La caracterización realizada sugiere la presencia de pequeñas cantidades de carbono y algunos óxidos de lantano, estroncio y cobalto como principales contaminantes, específicamente en la muestra obtenida mediante la polimerización con ácido propiónico. Resumen en inglés This paper describes the preparation of La0,75Sr0,25Co0,5Fe0,5O3 (LaSrCoFeO) perovskite, using a wet chemical route, through polymerization with citric acid and propionic acid, to obtain materials for potential applications as membranes purification materials and oxygen electrodes in Solid Oxide Fuel Cells (SOFC). The solids were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM), obtaining information on the formation and purity of phases, mo (mas) rphology, structure and surface properties of each system. This indicates that it is possible to obtain solids with a homogeneous distribution of grain, texture and relief features. In this context the method involving the polymerization with citric acid showed the best results. The overall composition was determined by X-ray microanalysis of energy dispersive (EDX), indicating a good correlation between the compositions obtained and the proposed. The characterization performed suggests the presence of small amounts of carbon and some oxides of lanthanum, strontium and cobalt as major pollutants, specifically in the sample obtained by polymerization withpropionic.

Scientific Electronic Library Online (Spanish)

17

Synchronization Properties of Two Coupled Multisection Semiconductor Lasers Emitting Chaotic Light

Pérez, Toni; Radziunas, Mindaugas; Wünsche, Hans-Jürgen; Mirasso, Claudio R.; Henneberger, Fritz
2006-10-15

Digital.CSIC (Spain)

18

Superscaling analysis of inclusive electron scattering and its extension to charge-changing neutrino-nucleus cross sections beyond the relativistic Fermi gas approach

Antonov, A. N.; Ivanov, M. V.; Gaidarov, M. K.; Moya de Guerra, Elvira; Caballero, Juan Antonio; Barbaro, M. V.; Udias, J. M.; Sarriguren, Pedro
2006-11-10

Digital.CSIC (Spain)

19

Study of the localization of iron, ferritin, and hemosiderin in Alzheimer's disease hippocampus by analytical microscopy at the subcellular level.

Quintana, C.; Bellefqih, S.; Laval J. Y.; Guerquin-Kern, J. L.; Wu, T. D.; Avila, José; Ferrer, I.; Arranz, R.; Patiño, C.
2008-01-01

Digital.CSIC (Spain)

20

Study and formation of vesicle systems with low polydispersity index by ultrasound method

Pereira-Lachataignerais, J.; Pons Pons, Ramón; Panizza, P; Courbin, L; Rouch, J; López Serrano, Olga
2006-04-01

Digital.CSIC (Spain)

21

Structure and magnetism of atomically thin Fe layers on flat and vicinal Pt surfaces

Repetto, D.; Lee, T. Y.; Rusponi, S.; Honolka, J.; Kuhnke, K.; Sessi, V.; Starke, U.; Brune, H.; Gambardella, Pietro; Carbone, C.; Enders, A.; Kern, Klaus
2006-08-04

Digital.CSIC (Spain)

22

Stacking of InAs/InP(001) quantum wires studied by in situ stress measurements: Role of inhomogeneous stress fields

Fuster, David; González, María Ujué; González, Luisa; González, Yolanda; Ben, T.; Ponce, Arturo; Molina, Sergio I.
2004-06-20

Digital.CSIC (Spain)

23

Size and shape of supported zirconia nanoparticles determined by x-ray photoelectron spectroscopy

Yubero Valencia, Francisco; Mansilla, C.; Ferrer, F. J.; Holgado, Juan P.; González-Elipe, Agustín R.
2007-06-26

Digital.CSIC (Spain)

24

Single- and low-lying-states dominance in two-neutrino double-beta decay

Moreno, Oscar; Álvarez-Rodríguez, Raquel; Sarriguren, Pedro; Moya de Guerra, Elvira; Šimkovic, F.; Faessler, A.
2009-01-01

Digital.CSIC (Spain)

25

Simulated SMOS Levels 2 and 3 Products: The Effect of Introducing ARGO Data in the Processing Chain and Its Impact on the Error Induced by the Vicinity of the Coast

Talone, Marco; Camps, Adriano; Mourre, Baptiste; Sabia, Roberto; Vall-llossera, Mercè; Gourrion, Jérône; Gabarró, Carolina; Font, Jordi
2009-09-01

Digital.CSIC (Spain)

26

Secondary electron emission and photoemission studies on surface films of carbon nitride

Ripalda, José María; Montero Herrero, Isabel; Vázquez, Luis; Raboso, D.; Galán, L.
2006-02-24

Digital.CSIC (Spain)

27

Screening corrections for calculation of electron scattering differential cross sections from polyatomic molecules

Blanco, F.; García Gómez-Tejedor, Gustavo

8 pages, 5 figures.-- PACS nrs.: 31.15.-p; 31.15.Ar; 34.10.+x; 34.80.-i.-- Printed version published Sep 20, 2004. | An ab initio approximate procedure is obtained for the screening correction of molecular differential cross sections calculated in the independent atom approximation. Proposed correct...

DRIVER (Spanish)

31

Raman scattering study of background electron density in InN: a hydrodynamical approach to the LO-phonon–plasmon coupled modes

Cuscó, Ramón; Alarcón-Lladó, Esther; Ibáñez, Jordi; Yamaguchi, Tomohiro; Nanishi, Yasushi; Artús, Lluís
2009-10-01

Digital.CSIC (Spain)

32

Quantum Andreev Oscillations in normal-superconducting-normal nanostructures

Rödiger, P.; Esquinazi, Pablo D.; García García, Nicolás
2008-03-12

Digital.CSIC (Spain)

33

Potential energy surface and reactive collisions for the Au+H2 system

Zanchet, Alexander; Roncero, Octavio; Omar, Salama; Paniagua, Miguel; Aguado, Alfredo
2010-01-15

Digital.CSIC (Spain)

34

Possible quantum critical point in (La1−xDyx)0.7Ca0.3MnO3

Yusuf, S. M.; Teresa, José María de; Ritter, C.; Serrate, D.; Ibarra, M. Ricardo; Yakhmi, J. V.; Sahni, V. C.
2006-10-01

Digital.CSIC (Spain)

37

Photodetachment spectrum of OHF-: Three-dimensional study of the heavy–light–heavy resonances

González-Sánchez, Lola; Gómez Carrasco, Susana; Aguado, Alfredo; Paniagua, Miguel; Hernández, M. Luz

12 pages, 14 figures, 1 table.-- PACS nrs.: 82.30.Cf; 82.20.Kh; 31.15.Ar; 33.15.Mt; 33.80.Gj; 31.25.Eb; 31.50.Bc. | In this work a simulation of the OHF- photodetachment spectrum is performed in a three-dimensional potential energy surface recently developed for OHF(3A''). The ground 2A' state poten...

DRIVER (Spanish)

38

Photodetachment spectrum of OHF-: Three-dimensional study of the heavy–light–heavy resonances

González-Sánchez, Lola; Gómez Carrasco, Susana; Aguado, Alfredo; Paniagua, Miguel; Hernández, M. Luz; Alvariño, José M.; Roncero, Octavio
2004-07-01

Digital.CSIC (Spain)

40

PLAGUICIDAS ORGANOCLORADOS PERSISTENTES EN SEDIMENTOS DE TRES LAGOS COSTEROS Y UN LAGO ANDINO DE CHILE CENTRAL

BARRAL, RICARDO; POZO, KARLA; ROBERTO, URRUTIA; CISTERNAS, MARCO; PACHECO, PATRICIA; FOCARDI, S.
2001-06-01

Resumen en español Se evaluó la presencia y distribución de los compuestos orgánicos persistentes (COPs) en núcleos de sedimentos de los lagos Chica y Grande de San Pedro, Lleu-Lleu e Icalma. Los compuestos fueron extraídos mediante sistema soxhlet con solvente n-hexano, la identificación y cuantificación, de estos, se realizó por cromatografía gaseosa con detector de captura de electrones de 63Ni. Se realizó un análisis estadístico de componentes principales (ACP) y Correlació (mas) n de Pearson. Los plaguicidas identificados en los sedimentos fueron: a-HCH, g-HCH, Heptacloro, Aldrin, Endrin, pp´-DDT, pp'-DDE y pp'-DDD. Los resultados indican variaciones en la distribución y concentración de los COPs, al comparar los lagos urbanos con los lagos prístinos. Destaca la presencia de pp'-DDE (rango: b.n.d- 1.68 ng g-1 peso seco) y pp'-DDT (rango: b.n.d- 0.89 ng g-1 peso seco) en tres de los cuatro cuerpos de agua analizados. El análisis estadístico identificó correlaciones significativas entre el pp'-DDE y pp'-DDD. No se detectaron correlaciones entre el pp'-DDT y sus metabolitos. El ACP permitió agrupar algunos compuestos orgánicos en función de sus concentraciones y degradación a través del tiempo. Se concluye que Laguna Chica de San Pedro presentó las concentraciones más altas de COPs, las cuales son bajas al ser comparadas con concentraciones detectadas en áreas limpias del Sur de Chile Resumen en inglés We have measured concentrations and distribution of Persistent Organic Compounds (POC) in sediment cores from four Chilean lakes: Laguna Chica de San Pedro, Laguna Grande de San Pedro, Lleu-lleu, and Icalma. The organochlorine compounds were extracted with n-hexane in a soxhlet system and then identified and quantified by gas chromatography using a 63 Ni Electron Capture Detector. Statistical analyses were performed using a Principal Components Analysis (PCA) and the Pear (mas) son Correlation. The following pesticides were identified in the sediments: a-HCH, Lindane, Heptachlor, Aldrin, pp'-DDT, pp'-DDE, and pp'-DDD. The results show variation in both POC distribution and concentration when comparing pristine and urban lakes. It is important to note that pp'-DDE (range:b.d.l.-1.68 ng g-1 d.w.) and pp'-DDT (range: b.d.l.-0.89 ng g-1 d.w.) were present in three of the four lakes in the study. The statistical analyses showed significant correlations between pp'-DDE and pp'-DDD. Correlations between pp'-DDT and its metabolites were not detected. The PCA showed groupings of some of the organic compounds based on concentration and degradation over time. It is concluded that Laguna Chica de San Pedro is the lake with the highest concentration of POC's, although the levels appear low when compared with those measured in pristine areas in Southern Chile

Scientific Electronic Library Online (Spanish)

41

Optical quality of the eye lens surfaces from roughness and diffusion measurements

Navarro, Rafael; Méndez-Morales, J. A.; Santamaría, Javier
1986-02-01

Digital.CSIC (Spain)

42

On the nature of the unusually long OO bond in HO3 and HO4 radicals

Mansergas, Alex; Anglada Rull, Josep M; Olivella, Santiago; Ruiz-López, Manuel F; Martins-Costa, Marilia

9 pages, 3 figures, 6 tables.-- PMID: 17989793 [PubMed].-- Supplementary information (Suppl. tables S1-S2, 3 pages) available at: http://www.rsc.org/suppdata/CP/b7/b711464h/b711464h.pdf | The HO3 and HO4 polyoxide radicals have attracted some attention due to their potential role in ozone chemistry....

DRIVER (Spanish)

43

Nonlinear I–V electrical behaviour of doped CaCu3Ti4O12 ceramics

Leret, Pilar; Fernández Lozano, José Francisco; Frutos, J. de; Fernández Hevia, D.
2007-01-01

Digital.CSIC (Spain)

44

New advances in homoleptic organotransition-metal compounds: the case of perhalophenyl ligands

Garcia-Monforte, M. Angeles; Alonso Gascón, Pablo J.; Forniés, Juan; Menjón, Babil
2007-11-15

Digital.CSIC (Spain)

45

Multi-photon, multi-mode polarization entanglement in parametric down-conversion

Gatti, Alessandra; Zambrini, Roberta; San Miguel, Maxi; Lugiato, Luigi A.
2003-06-01

Digital.CSIC (Spain)

46

Morphological and chemical studies of pathological human and mice brain at the subcellular level: correlation between light, electron, and nanosims microscopies.

Quintana, C.; Wu, T. D.; Delatour, B.; Dhenain, M.; Guerquin-Kern, J. L.; Croisy, A.

Microsc Res Tech. 2007 Apr;70(4):281-95 | Neurodegenerative diseases induce morphological and chemical alterations in well-characterized regions of the brain. Understanding their pathological processes requires the use of methods that assess both morphological and chemical alterations in the tissues...

DRIVER (Spanish)

48

Molecular photoreactivity on metal-oxide surfaces from first-principles: photocathalysis and photovoltaics

Lara Castells, M. Pilar de; Aguirre Castiblanco, Néstor Fabián; López Durán, David; Ortega Mateo, José; Mitrushchenkov, Alexander O.
2010-02-01

Digital.CSIC (Spain)

49

Microstructural analysis of nickel hydroxide: Anisotropic size versus stacking faults

Casas Cabanas, Montse; Palacín, M. R.; Rodríguez-Carvajal, Juan
2005-12-01

Digital.CSIC (Spain)

50

Microscopic and macroscopic dielectric description of mixed oxide thin films

Ferrer, F. J.; Yubero Valencia, Francisco; Mejías, J. A.; García-López, F. J.; González-Elipe, Agustín R.
2007-10-30

Digital.CSIC (Spain)

51

Mesoscopic magnetic states in metallic alloys with strong electronic correlations: A percolative scenario for CeNi1-xCux

Marcano, N.; Gómez Sal, J. C.; Espeso, J. I.; Teresa, José María de; Algarabel, Pedro A.; Paulsen, C.; Iglesias, J. R.
2007-04-01

Digital.CSIC (Spain)

53

Marker-free image registration of electron tomography tilt-series

Sánchez Sorzano, Carlos Óscar; Messaoudi, Cédric; Eibauer, Matthias; Bilbao-Castro, José Román; Hegerl, R.; Nickell, S.; Marco, Sergio; Carazo, José M.
2009-04-27

Digital.CSIC (Spain)

54

Magnetotransport properties of high-quality cobalt nanowires grown by focused-electron-beam-induced deposition

Fernández Pacheco, Amalio; Teresa, José María de; Córdoba, R.; Ibarra, M. Ricardo
2009-02-12

Digital.CSIC (Spain)

56

Magnetic properties of Co nanoparticle granular films capped with Pt.

Bartolomé, Juan; García, L. M.; Bartolomé, Fernando; Luis, F.; Petroff, F.; Deranlot, C.; Wilhelm, F.; Rogalev, A.
2007-09-01

Digital.CSIC (Spain)

58

Lambda-p femtoscopy in collisions of Ar + KCl at 1.76AGeV

HADES Collaboration; Díaz Medina, José; Gil, Alejandro; Agakishiev, G.; Ramstein, B.
2010-08-18

Digital.CSIC (Spain)

59

Kinetic characterization of the substrate specificity and mechanism of mushroom tyrosinase

Espín de Gea, Juan Carlos; Varón, Ramón; Fenoll, Lorena G.; Gilabert, M. Ángeles; García-Ruíz, Pedro; Tudela, José; García-Cánovas, Francisco
2000-02-01

Digital.CSIC (Spain)

60

Initial stage of the active mode-locking in semiconductor heterolasers

Shcherbakov, Alexandre S.; Kosarsky, Alexey Yu; Campos Acosta, Joaquín; Moreno Zarate, Pedro; Mansurova, Svetlana
2009-01-01

Digital.CSIC (Spain)

61

Influence of the linker type on the Au–S binding properties of thiol and disulfide-modified DNA self-assembly on polycrystalline gold

Martinez, Lidia; Carrascosa, Laura G.; Huttel, Yves; Lechuga, Laura M.; Román García, Elisa Leonor
2010-04-07

Digital.CSIC (Spain)

63

Histopathological changes induced by lindane (γ-HCH) in various organs of fishes

González de Canales, María Luisa; Ortiz, Juan B.; Sarasquete, M.ª Carmen
2003-03-03

Digital.CSIC (Spain)

64

High-Level correlated approach to the jellium surface energy, without uniform-electron-gas input

Constantin, Lucian A.; Pitarke, José María; Dobson, J. F.; García-Lekue, A.; Perdew, J. P.

4 pp.-- PACS nrs.: 71.10.Ca, 71.15.Mb, 71.45.Gm.-- Pre-print available at: http://arxiv.org/abs/0710.5564. | We resolve the long-standing controversy over the metal surface energy: Density-functional methods that require uniform-electron-gas input agree with each other, but not with high-level corre...

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65

High-Level correlated approach to the jellium surface energy, without uniform-electron-gas input

Constantin, Lucian A.; Pitarke, José María; Dobson, J. F.; García-Lekue, A.; Perdew, J. P.
2008-01-24

Digital.CSIC (Spain)

66

Glucocorticoid receptor is required for skin barrier competence

Bayo, Pilar; Sanchís, Ana; Bravo, Ana; Cascallana, José Luis; Buder, Katrin; Tuckermann, Jan; Schütz, Günther; Pérez, Paloma
2007-11-26

Digital.CSIC (Spain)

67

Giant permanent dipole moments of excitons in semiconductor nanostructures

Warburton, Richard J.; Schulhauser, C.; Haft, Dirk; Schäflein, C.; Karrai, Khaled; García, Jorge M.; Schoenfeld, W. V.; Petroff, Pierre M.
2002-02-15

Digital.CSIC (Spain)

68

Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition

Valdemoro, Carmela; Tel, Luis María; Pérez-Romero, Encarnación; Alcoba, Diego Ricardo
2008-01-10

Digital.CSIC (Spain)

69

Family of modified-contracted Schrödinger equations

Alcoba, Diego Ricardo; Valdemoro, Carmela
2001-11-13

Digital.CSIC (Spain)

70

Experimental study of the structural and magnetic properties of -Fe2O3 nanoparticles

Yusuf, S. M.; Teresa, José María de; Mukadam, M. D.; Kohlbrecher, J.; Ibarra, M. Ricardo; Arbiol, J.; Sharma, P.; Kulshreshtha, S. K.
2006-11-01

Digital.CSIC (Spain)

71

Experimental and theoretical characterization of integrated field emission nanotips

García García, Nicolás; Marqués, M. I.; Asenjo, A.; Correia, A.
1998-03-01

Digital.CSIC (Spain)

72

Exchange-correlation effects on quantum wires with spin-orbit interactions under the influence of in-plane magnetic fields

Malet, Francesc; Pi, Martí; Barranco, Manuel; Serra, Llorenç; Lipparini, Enrico

12 pages.-- PACS numbers: 73.63.Nm, 71.70.Ej, 71.15.Mb, 71.70.Gm.-- Final full-text version of the paper available at: http://dx.doi.org/10.1103/PhysRevB.76.115306. | Within the noncollinear local spin-density approximation, we have studied the ground state structure of a parabolically confined quan...

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73

Exchange-correlation effects on quantum wires with spin-orbit interactions under the influence of in-plane magnetic fields

Malet, Francesc; Pi, Martí; Barranco, Manuel; Serra, Llorenç; Lipparini, Enrico
2007-09-01

Digital.CSIC (Spain)

75

Energy loss spectra of lithium under pressure

Rodríguez Prieto, Álvaro; Silkin, Viatcheslav M.; Bergara, Aitor; Echenique, Pedro M.
2008-05-29

Digital.CSIC (Spain)

77

Electronic state characterization of SiOx thin films prepared by evaporation

Barranco Quero, Ángel; Yubero Valencia, Francisco; Espinós Manzorro, Juan Pedro; Groening, P.; González-Elipe, Agustín R.
2005-06-08

Digital.CSIC (Spain)

79

Electron-electron correlation in graphite: combined angle-resolved photoemission experiments and ab-initio calculations

Grüneis, Alexander; Attaccalite, Claudio; Pichler, Thomas; Zabolotnyy, V.; Shiozawa, H.; Molodtsov, S.

4 pp.-- PACS nrs.: 79.60.-i, 71.10.-w, 71.20.Tx, 71.55.Ak. | The full three-dimensional dispersion of the π bands, Fermi velocities, and effective masses are measured with angle-resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functiona...

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80

Electron-electron correlation in graphite: combined angle-resolved photoemission experiments and ab-initio calculations

Grüneis, Alexander; Attaccalite, Claudio; Pichler, Thomas; Zabolotnyy, V.; Shiozawa, H.; Molodtsov, S.; Inosov, D.; Koitzsch, A.; Borisenko, S. V.; Knupfer, M.; Schiessling, J.; Bruhwiler, P.; Weber, R.; Rudolf, P.; Wirtz, Ludger; Rubio Secades, Ángel
2008-01-22

Digital.CSIC (Spain)

81

Electron transfer to sulfides and disulfides: intrinsic barriers and relationship between heterogeneous and homogeneous electron-transfer kinetics

Meneses, Ana Belén; Antonello, Sabrina; Arévalo, Maria Carmen; González Martín, Concepción C.; Sharma, Jadab; Wallette, Andrea N.; Workentin, Mark S.; Maran, Flavio
2007-07-06

Digital.CSIC (Spain)

82

Efecto agudo del AlCl3 sobre la fibra periférica de ganglio espinal de embrión de pollo "in vitro"

Alvarez, M; Escorche, M; Müler, C
2004-06-01

Resumen en español El presente trabajo estudia la toxicidad del AlCl3 sobre la fibra periférica de ganglio espinal de embrión de pollo cultivado en gota pendiente. Una estructura del sistema nervioso, hasta el momento, escasamente valorada como un blanco para el Aluminio. Una solución stock de AlCl3 750µM fue diluida en solución Tyrodes y aplicada, de manera aguda, a los cultivos de 24 horas en una concentración final de 75µM. Los resultados fueron obtenidos siguiendo el esquema de l (mas) a microscopia digital. La Microscopia Electrónica fue ejecutada de acuerdo a los pasos convencionales. Los resultados muestran una disminución del movimiento de la membrana ondulante, con retracción de la misma y formación de filopodios. Las células acompañantes no presentan signos de retracción. Se resalta la presencia de formaciones varicosas a lo largo de la fibra, mayor electrondensidad mitocondrial y vesículas axoplásmicas de mayor tamaño. Se demuestra que el AlCl3 altera la estructura de la fibra periférica del ganglio espinal de embrión de pollo en cultivo, comprometiendo el proceso de transporte axonal. Se involucra a las mitocondrias como organelos subcelulares claves en la toxicidad del AlCl3. Habrá que realizar subsecuentes investigaciones orientadas a profundizar sobre la fijación de Aluminio a la estructura mitocondrial y el efecto neuro-tóxico del AlCl3. Resumen en inglés The effect of AlCl3 on peripheric branches of spinal ganglia of chick embryo in hanging drop culture was carried out. The sock solution of AlCl3 750µM in Tyrodes solution was applied, in acute exposure, on 24 h cultures to final concentration of 75µM. The main stages in the examination of digital microscopy data and electron microscopy was used. The results show decrease of wave motion and retraction of undulating membrane with filopodia formation. The accompanying cell (mas) s not present retraction signs. The varicose shape, very dense mitochondria matrix and large cytoplasm vacuole was observed. Our studies demonstrate that morphology of peripheric branches of spinal ganglia "in vitro" is modified by AlCl3 acute exposure, and that is a correlation exists between the axonal transport suppression and mitochondria alteration. This suggests that mitochondria’s are important sub-cellular organelle in the aluminium neuronal injury.

Scientific Electronic Library Online (Spanish)

84

EVALUACIÓN CATALÍTICA DE ÓXIDOS POLICATIÓNICOS TIPO PEROVSKITA OBTENIDOS POR POLIMERIZACIÓN CON ÁCIDO CÍTRICO/ CATALYTIC EVALUATION OF PEROVSKITE TYPE POLICATIÓNIC OXIDES OBTAINED BY POLYMERIZATION WITH CITRIC ACID/ AVALIAÇÃO DE CATALISADORES DE ÓXIDOS POLICATIÓNICOS TIPO PEROVSKITAS OBTIDOS POR POLIMERIZAÇÃO COM ÁCIDO CÍTRICO

Gómez-Cuaspud, Jairo A.; Valencia-Ríos, Jesús S.
2009-08-01

Resumen en portugués Este estudo descreve a preparação da Perovskitas La0,75Sr0,25Co0,5Fe0,5O3 (LaSrCoFeO), utilizando uma rota química molhado, através da polimerização do ácido cítrico, a obtenção de materiais para aplicações potenciais em bateria eletrodos combustível de óxido sólido (SOFC), por esta razão, o som foi caracterizado por difração de raios X (XRD), microscopia eletrônica de varredura (MEV) e determinação de área superficial específica por BET, permitindo (mas) determinar a formação de uma fase tipo Perovskitas coerente com JCPDS inscrições: 089-1267, textura e relevo encontrado são características do método de síntese, que o forte grau de rugosidade. O tamanho dos cristalitos, calculada com a Scherrer Calculadora confirmou a presença de agregados nanométricos, que a composição global determinada por microanálise de raios X de energia dispersiva (EDX) indicou uma boa correlação entre o proposto e obtido. A avaliação foi realizada utilizando a decomposição catalítica de peróxido de hidrogénio em meio alcalino, revelou que a reacção é pseudo-primeira ordem com relação ao peróxido, supondo que a massa de catalisador e concentração da base não afeta a velocidade da reação, isotermas actividade, ativação aparente da energia, e na atividade geral observada corresponde a processos de adsorção física. Resumen en español En este trabajo se describe la preparación de la perovskita La0,75Sr0,25Co0,5Fe0,5O3, (LaSrCoFeO), empleando una ruta de química húmeda, mediante la polimerización con ácido cítrico, con el propósito de obtener materiales para potenciales aplicaciones electródicas en pilas de combustible de óxido sólido (SOFC); para ello, el sólido se caracterizó mediante difracción de rayos X (DRX), microscopia electrónica de barrido (SEM) y área superficial específica me (mas) diante el método BET, permitiendo determinar la formación de una fase tipo perovskita concordante con el registro JCPDS: 089-1267; la textura y el relieve encontrados son característicos del método de síntesis, confiriéndole al sólido cierto grado rugosidad. El tamaño de cristalito, calculado con el programa Scherrer Calculator, confirmó la presencia de cristalitos nanométricos, mientras que la composición global determinada mediante microanálisis de rayos X de energía dispersiva (EDX), indicó una buena concordancia entre la composición propuesta y la obtenida. La evaluación catalítica se realizó utilizando la descomposición de peróxido de hidrógeno en medio alcalino; este procedimiento permitió determinar que la reacción es de pseudo primer orden con respecto al peróxido, suponiendo que la masa de catalizador y la concentración de la base no inciden sobre la velocidad de reacción. Las isotermas de actividad, la energía aparente de activación, y en general la actividad observada, guardan buena correspondencia con resultados obtenidos para la descomposición de H2O2 sobre otros sólidos. Resumen en inglés This paper describes the preparation of the La0,75Sr0,25Co0,5Fe0,5O3 perovskite (LaSrCoFeO), using a wet chemical route, through polymerization with citric acid, to obtain materials for potential applications like electrodes in solid oxide fuel cells (SOFC). The solid was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and specific surface area by the BET method. This allows the determination of the formation of a perovskite type phase consist (mas) ent with JCPDS registration: 089-1267. The texture and relief found are characteristic of the method of synthesis, giving the strong degree of roughness. The size of crystallites, calculated with the Scherrer Calculator software confirmed the presence of nanometric crystallites. The overall composition determined by X-ray microanalysis of energy dispersive (EDX) indicated a good correlation between the proposed and obtained. The assessment was carried out using the catalytic decomposition of hydrogen peroxide in alkaline medium, revealed that the reaction is pseudo first order with respect to peroxide, assuming that the mass of catalyst and concentration of the alkali do not affect the reaction rate, isotherms activity, apparent activation energy. In general activity observed corresponds to physical adsorption process.

Scientific Electronic Library Online (Spanish)

85

Depósito de TiN sobre herramientas de corte para uso industrial

Auger, M. A.; Sánchez Garrido, Olga; Albella Martín, José María
2004-03-01

Digital.CSIC (Spain)

86

DETERMINING THE PARAMETERS OF PICOSECOND OPTICAL PULSES GENERATED BY THE ACTIVELY MODE‐LOCKED SEMICONDUCTOR HETEROLASERS

Shcherbakov, Alexandre S.; Kosarsky, Alexey Yu.; Campos Acosta, Joaquín; Moreno Zarate, Pedro
2009-01-01

Digital.CSIC (Spain)

87

Coseismic horizontal offsets and fault-trace mapping using phase correlation of IRS satellite images: the 1999 Izmit (Turkey) earthquake

González Méndez, Pablo José; Chini, Marco; Stramondo, Salvatore; Fernández Torres, José
2010-05-01

Digital.CSIC (Spain)

88

Controlling the N - and S -representability of the second-order reduced density matrix: The doublet-state case

Alcoba, Diego Ricardo; Valdemoro, Carmela; Tel, Luis María; Pérez-Romero, Encarnación

12 pages, 6 figures, 3 tables.-- PACS nrs.: 31.10.+z; 31.15.vj; 31.15.xh. | A purification procedure that simultaneously corrects the N- and S-representability main defects of a second-order reduced density matrix (2RDM), second-order hole reduced density matrix (2HRDM), and second-order G matrix is...

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89

Controlling the N - and S -representability of the second-order reduced density matrix: The doublet-state case

Alcoba, Diego Ricardo; Valdemoro, Carmela; Tel, Luis María; Pérez-Romero, Encarnación
2008-04-17

Digital.CSIC (Spain)

91

Confining surface state electrons in less than two dimensions: A spectroscopic study

García, Jorge M.; Sánchez, O.; Segovia, P.; Ortega, J. E.; Álvarez, J.; Vázquez de Parga, A. L.; Miranda, Rodolfo
1995-01-01

Digital.CSIC (Spain)

92

Carrier-carrier correlations in an optically excited single semiconductor quantum dot

Dekel, E.; Gershoni, D.; Ehrenfreund, E.; García, Jorge M.; Petroff, P. M.
2000-04-15

Digital.CSIC (Spain)

93

Capping layer effects in the structure and composition of Co nanoparticle ultrathin films

Arbiol, J.; Peiró, F.; Cornet, A.; Clavero, C.; Cebollada, Alfonso; Armelles Reig, Gaspar; Huttel, Y.
2005-01-12

Digital.CSIC (Spain)

94

CARACTERIZACIÓN TEXTURAL Y QUÍMICA DE CATALIZADORES TI-SIO2 CRISTALINOS USADOS EN LA EPOXIDACIÓN DE ÉSTERES GRASOS/ TEXTURAL AND CHEMICAL CHARACTERIZATION OF CRYSTALLINE Ti-SiO2 CATALYSTS USED IN THE EPOXIDATION OF FATTY ESTERS

RIOS, LUIS; RESTREPO, GLORIA; SUÁREZ, RICARDO; CAICEDO, ROSARIO; MAZO, PAULA; FRANCO, ALEXANDER; ECHEVERRI, DAVID
2006-03-01

Resumen en español Centros discretos de TiIV dispersos en una matriz de SiO2 actúan como fuertes aceptores de electrones por lo cual son útiles para la activación de moléculas o funciones químicas densas en electrones. La cantidad de estos centros, su dispersión, accesibilidad y coordinación, determinan su eficiencia química; para determinar estas propiedades, varios materiales Ti-MCM-41 se caracterizaron mediante DRX, FTIR, UV-Vis e isotermas de adsorción de N2; también se determ (mas) inaron la cristalinidad, porosidad y superficie específica de la matriz SiO2 permitiendo correlacionar el ambiente fisicoquímico del titanio y las propiedades texturales del catalizador, con su efectividad en la activación de enlaces O-O presentes en moléculas tipo peróxidos, usados en la epoxidación de aceites vegetales. Los resultados sugieren que la presencia de poros cristalinos, en la epoxidación del metiléster del ácido oleico con TBHP y catalizada con Ti-MCM-41, no es necesaria, puesto que la reacción ocurre principalmente en el área externa a los poros. Lo realmente importante es tener centros de Ti finamente dispersos sobre una área superficial alta y accesible. Por otro lado, la temperatura de reacción deber estar por debajo de 70°C para minimizar la formación de subproductos (cetona). Resumen en inglés Discrete TiIV centers dispersed in a SiO2 matrix acts as strong electron acceptors, therefore, they are useful in activating molecules or moieties which are electron-rich. The amount, dispersion, accessibility and coordination of these centers determine their chemical efficiency. Several Ti-MCM-41 materials where characterized using DRX, FT-IR, UV-Vis and nitrogen adsorption to evaluate the dispersion, coordination and accessibility of Ti centers as well as the crystallin (mas) ity, porosity and surface area of the SiO2 matrix. This study allows a correlation between the chemical environment of titanium, textural properties of the catalyst and its performance in the activation of O-O bonds present in peroxides, used for the epoxidation of plant oils. Results suggest that the presence of crystalline pores, in the epoxidation of oleic acid methylester with TBHP catalyzed by Ti-MCM-41, is not necessary, because the reaction occurs in large extension on the external surface area. The important issue is to have the titanium centers finely dispersed on a relatively high surface area. Temperature should be below 70°C to minimize the ketone formation.

Scientific Electronic Library Online (Spanish)

95

Brueckner-Hartree-Fock study of circular quantum dots

Emperador, Agustí; Lipparini, Enrico; Serra, Llorenç
2006-06-22

Digital.CSIC (Spain)

96

Bricks in historical buildings of Toledo City: characterisation and restoration

López-Arce, Paula; García Guinea, Javier; Gracia, Mercedes; Obis, Joaquín
2003-01-01

Digital.CSIC (Spain)

97

Biomass concentration measurement device and method and use of an electronic chip element for measuring said biomass concentration

Muñoz Berbel, Xavier; Muñoz Pascual, Francisco Javier; Escudé Pujol, Roger; Mas Gordi, Jordi; Vigués Frantzen, Núria; Campo García, Francisco Javier del
2010-05-28

Digital.CSIC (Spain)

98

Band structure effects on the Be(0001) acoustic surface plasmon energy dispersion

Silkin, Viatcheslav M.; Pitarke, José María; Chulkov, Eugene V.; Diaconescu, B.; Pohl, K.; Vattuone, L.

22 pp.-- PACS nrs.: 71.15.Mb, 71.45.Gm, 73.20.At, 73.20.Mf.-- Pre-print version available at: http://arxiv.org/abs/0806.2364. | We report first-principles calculations of acoustic surface plasmons on the (0001) surface of Be, as obtained in the random-phase approximation of many-body theory. The ene...

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99

Band structure effects on the Be(0001) acoustic surface plasmon energy dispersion

Silkin, Viatcheslav M.; Pitarke, José María; Chulkov, Eugene V.; Diaconescu, B.; Pohl, K.; Vattuone, L.; Savio, L.; Hofmann, Ph.; Farías, D.; Rocca, M.; Echenique, Pedro M.
2008-05-09

Digital.CSIC (Spain)

100

An overview on potential energy surfaces of rare-gas dihalogen van der Waals clusters

Delgado Barrio, Gerardo; Prosmiti, Rita; Valdés, Álvaro; Villarreal, Pablo
2006-01-01

Digital.CSIC (Spain)

101

An inversion technique for the calculation of embedding potentials

Roncero, Octavio; Lara Castells, M. Pilar de; Villarreal, Pablo; Flores, F.; Ortega, J.; Paniagua, Miguel

12 pages, 9 figures.-- PACS nrs.: 31.15.eg; 33.15.Bh; 31.15.xr; 31.15.vn; 31.50.Df; 34.20.Cf. | A new embedding method to include local correlation in large systems is proposed. In this method the density of the whole system, calculated via density functional theory approaches, is partitioned in two...

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102

An inversion technique for the calculation of embedding potentials

Roncero, Octavio; Lara Castells, M. Pilar de; Villarreal, Pablo; Flores, F.; Ortega, J.; Paniagua, Miguel; Aguado, Alfredo
2008-11-10

Digital.CSIC (Spain)

103

Alteration in the chloroplastic metabolism leads to ROS accumulation in pea plants in response to Plum pox virus

Díaz-Vivancos, Pedro; Clemente-Moreno, María José; Rubio, Manuel; Olmos, Enrique; García, Juan Antonio; Martínez-Gómez, Pedro; Hernández, José Antonio
2009-01-01

Digital.CSIC (Spain)

104

Ab initio ground state potential energy surfaces for Rg–Br2 (Rg = He, Ne, Ar) complexes

Prosmiti, Rita; Cunha, Carlos; Villarreal, Pablo; Delgado Barrio, Gerardo
2002-06-01

Digital.CSIC (Spain)

105

Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation

Palummo, Maurizia; Hogan, Conor; Sottile, Francesco; Bagalá, Paolo; Rubio Secades, Ángel
2009-08-24

Digital.CSIC (Spain)

106

A full-configuration interaction "nuclear orbital'' method to study doped 3He(N) clusters (N<=4)

Lara Castells, M. Pilar de; Delgado Barrio, Gerardo; Villarreal, Pablo; Mitrushchenkov, A. O.
2006-12-08

Digital.CSIC (Spain)

107

A full-configuration interaction "nuclear orbital'' method to study doped 3He(N) clusters (N

Lara Castells, M. Pilar de; Delgado Barrio, Gerardo; Villarreal, Pablo; Mitrushchenkov, A. O.

4 pages, 1 figure, 2 tables.-- PACS nrs.: 36.40.Cg; 31.25.-v; 33.15.Ry. | An efficient full configuration interaction (FCI) treatment, based on the Jacobi-Davidson algorithm, is developed in order to study small doped 3He(N) clusters. The state of each He atom in a given cluster is described by a se...

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108

A density-division embedding potential inversion technique

Roncero, Octavio; Zanchet, Alexander; Villarreal, Pablo; Aguado, Alfredo
2009-12-01

Digital.CSIC (Spain)