Electron localization function (ELF)
An electron localization function and catastrophe theory analysis on the molecular mechanism of gas phase identity SN2 reactions
... the electron localization function (ELF) of Becke and Edgecombe [6] instead of the charge ...words electron density transfer along the reaction path), it is very important to recover a more ...
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Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence shell electron pair repulsion (VSEPR) inspired interpretation
... the electron density transfers during a chemical reaction can provide important insights, making possible to understand and control chemical ...meet electron density transfers in chemical reaction ...
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A complementary view to the bonding pattern in the N5 +cation an electron localization function and local temperature analysis
... Fermi hole analysis at atomic regions. The fluctuation analysis based in Eq. (7) and Eq. (8), yields directly to a complementary view of the simplified picture of bonding drawn in Eq. (1b). It can be noted, for instance, ...
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Surface states of FeF2 (110) and its uncompensated magnetization
... techniques. We compute the (110) surface reconstruction, energetics, magnetic moments, band structure, charge density and electron localization function, for the two possible terminations (Fe and F). ...
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Measurement of the production cross section for Z/gamma* in association with jets in pp collisions at root s=7 TeV with the ATLAS detector
... The paper is organized as follows. The detector is de- scribed in the next section. Section III discusses the event selection, while Sec. IV provides details of the simulations used in the measurements and Secs. V and VI ...
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Infrared photoluminescence of high In content InN/InGaN multiple quantum wells
... carrier localization energy larger than 35 ...carrier localization can be attributed to fluctuations of layer thickness and alloy composition in the barriers, whose effect is increased by the intense ...
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Active visual localization for mobile robots
... active localization was (Roy & Thrun, 1999), where they implement a partially observable Markov decision process (POMDP) to find a route between two points in a ...active localization strategy. This ...
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Efficient localization methods for wireless sensor networks based on received signal strength = Metodos de localizacion eficiente para redes de sensores basados en la medida de la potencia de señal recibida
... develop localization sys- tems that use this type of existing wireless network ...The localization of the mobile node is based on RSS measurements and can be implemented using two different ...the ...
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16641693
... other Localization of D 4 receptors in the rat, mouse and authors [2,7,8,14,19], but their precise localization and monkey striatum has been previously reported by other their origin was not clearly ...
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Multilingual and Localization Support for Ontologies
... With this purpose in mind, an ontology of linguistic and terminological con- cepts has been developed within the NeOn project in order to capture relevant linguistic information that linked to domain ontologies enables ...
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Vista de Transformadas integrales y funciones extendidas de Voigt | Revista de la Academia Colombiana de Ciencias Exactas, Físicas y Naturales
... The present work is inspired by the frequent require- ments of various properties of Voigt functions in the analysis of certain applied problems. In the present paper it will be shown that generalized Voigt ...
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Role of tourism in protected areas development. Deconstructing the myth
... RESULTS: Focused in the pattern of localization of touristic public and private services. Is it public outdoor recreation a localization factor? What is the relationship between public[r] ...
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16602067
... the localization length is smaller than the system size L in the whole energy range, and there- fore all the states are localized, as expected in a disordered ...the localization length also increases, ...
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TítuloMembrane bound class III peroxidases: unexpected enzymes with exciting functions
... Membrane localization of class III peroxidases has been demonstrated for tonoplast, plasma membrane and detergent resistant membrane fractions of different plant ...a function in membrane protection and/or ...
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Aberration corrected electron microscopy of nanoparticles
... industrial electron microscope built by Ruska’s team at the Siemens labs was a microscope with a very disappointing practical performance (see ...transmission electron microscopy (TEM) was close to ...
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The Pulsar Luminosity Function
... In the last 30 years, radio-pulsar (PSR) luminos- ity functions have been constructed many times by different authors. From these works, it has been found that the 400 MHz luminosity function is a power law with ...
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Biomedical EPR Part-B Methodology Instrumentation and Dynamics – Sandra R. Eaton
... Analysis of molecular structure and conformation. A series of torsion angle search calculations are then carried out around all rotatable bonds within van der Waals hard-sphere space constrained by the ENDOR- determined ...
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EELS analysis of Nylon 6 nanofibers reinforced with nitroxide functionalized graphene oxide
... transmission electron microscope (HRTEM) JEOL JEM- 2200FS equipped with a spherical aberration corrector in the condenser lens and operated at an accelerating voltage of 200 ...
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chapter03.ppt
... – Local variables passed when the function is called that provide the function with outside information.. 3.6 Function Prototypes[r] ...
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Preparation of Specimens for Lightand Electron
... Rotary Platinum Shadowing 367 Negative Staining 373 Single Particle Analysis of Frozen Macromolecules by Cryoelectron Microscopy 374 Electron Microscope Tomography 378 X-Ray and Electron[r] ...
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