Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 298 for “"Chem"”.
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Plasmonic Paper as a Novel Chem/Bio Detection Platform
… medium renders it an attractive platform for chemical and biological sensing. When the excitation light is in resonance with the plasmon frequency of the metal nanoparticle, it radiates a characteristic dipolar radiation causing a characteristic spatial distribution in which certain areas show …
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Simulation of an extreme wildfire event using the WRF-Chem model
… προσομοιώθηκε με το ατμοσφαιρικό μοντέλο WRF-Chem το οποίο είναι πλήρως συζευγμένο με τη χημεία και συνυπολογίζει τις αλληλεπιδράσεις μεταξύ αερολυμάτων και ακτινοβολίας. Δορυφορικά προϊόντα και δεδομένα παρατήρησης από σταθμούς χρησιμοποιήθηκαν για την αξιολόγηση των αποτελεσμάτων των …
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Sensitivity of black carbon aging to modeling assumption in CAM-chem
… forcing to the aging criterion used in CAMChem, and to compare BC aging rates in CAMChem to an aging parameterization based on more detailed particle-resolved simulations with PartMC-MOSAIC. We carried out a 1-year simulation with the global CAMChem model, where a 4-mode modal aerosol model …
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Modeling nighttime chemistry with WRF/chem: sensitivity to vertical resolution and boundary layer parameterization
Tropospheric photochemistry and the formation of particulate nitrate depend critically on the budget of nitrogen oxides (NOx). The NOx budget in turn is tied to the nocturnal N2O5 hydrolysis reaction, which takes place in the aqueous phase of aerosols. Through this reaction, NOx is removed from the …
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An Analysis of the Differences Between Two Seasonal Saudi Arabian Dust Storms Using WRF-Chem
… is forced by more regional dynamics. The WRF-Chem (Weather Research and Forecasting/Chemistry) model was validated against the MERRA data and simulated these cases to estimate the TKE at low-levels for both the Sharav and Shamal case studies which caused high dust concentrations with a maximum …
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Examining Transportation of Natural Gas Exploration Emissions in the High Plains Region Using the Wrf-Chem Model
Surface ozone (O3) production relies on chemical reactions between nitrogen oxides (NOX) and volatile organic compounds (VOCs). Natural gas production is responsible for the production of both of these chemicals: heavy machinery in extracting processes generates nitrogen oxides and equipment leaks …
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Investigating the effect of variability in biomass burning emissions inventories on GEOS-Chem modeled trace gas and aerosol concentrations
… the vegetative fuels burned. Using the GEOS-Chem v1 1-01 chemical transport model, we studied how differences in emissions estimates between two commonly-used global biomass burning inventories, the Global Fire Emissions Database (GFED4) and the Fire INventory from NCAR (FINNy 1), affects …
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Reacciones de cicloadición y cicloisomerización catalizadas por oro en compuestos "Push-pull" : síntesis regioselectiva de heterociclos
… [b] A. Hoffman-Röder, N. Krause, Org. Biomol. Chem. 2005, 3, 387. [c] A. S. K. Hashmi, G. J. Hutchings, Angew. Chem. Int. Ed. 2006, 45, 7896. [d] D. J. Gorin, F. D. Toste, Nature 2007, 446, 395. [e] A. Fürstner, P. W. Davies, Angew. Chem. Int. Ed. 2007, 46, 3410. [f] E. Jiménez-Núñez, A. M. …
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Elemental and reactive gaseous mercury deposition and diurnal cycles over terrestrial environments
The atmospheric component of the global biogeochemical mercury cycle was studied to determine the mechanisms behind diurnal trends and amplitudes in elemental and reactive gaseous mercury concentrations over terrestrial environments. This analysis was done using the 3D GEOS-Chem chemical transport …
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Hochfeld/Hochfrequenz-Elektronenspin-Resonanz an Übergangsmetallverbindungen mit starken elektronischen Korrelationen
… zeigt die gleiche Kristallstruktur wie \chem{SrCu_2O_3}, einem Lehrbuchbeispiel für eine 2-beinige Spin\textfrac{1}{2}-Leiter mit einem nichtmagnetischen Grundzustand und einer großen Spinlücke zum ersten angeregten Zustand. \chem{CaCu_2O_3} zeigt dagegen überraschenderweise einen …
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Development and Acceleration of Parallel Chemical Transport Models
Improving chemical transport models for atmospheric simulations relies on future developments of mathematical methods and parallelization methods. Better mathematical methods allow simulations to more accurately model realistic processes and/or to run in a shorter amount of time. Parellization …
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ORGANIC AND HYBRID INORGANIC-ORGANIC MATERIALS WITH INTRIGUING EMISSIVE PROPERTIES IN THE SOLID STATE
… A. Previtali, S. Righetto, E. Cariati, J. Phys. Chem. Lett. 2017, 8, 1894–1898. [2] E. Lucenti, A. Forni, C. Botta, L. Carlucci, C. Giannini, D. Marinotto, A. Pavanello, A. Previtali, S. Righetto, E. Cariati, Angew. Chem. Int. Ed. 2017, 56, 16302–16307. [3] E. Lucenti, A. Forni, C. Botta, L. …
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In Pursuit of Local Correlation for Reduced-Scaling Electronic Structure Methods in Molecules and Periodic Solids
… theory (or, alternatively, computational quantum chemistry) has grown from being a fledgling field to being a "full partner with experiment" [Goddard Science 1985, 227 (4689), 917--923]. Numerous instances of theory matching experiment to very high accuracy abound, with one excellent example being …
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Molecular dynamics simulations of pressure shocks in liquid phase nitromethane
… D. C.; Rice, B. M.; Thompson, D. L. J. Phys. Chem. B 2000, 104, 8406). Generally good qualitative agreement with the corresponding experimental values was found for sound speeds (C) as a function of temperature. This is true as well for the PVT Hugoniot data calculated for the shock compressed …
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Elektrostatische Wechselwirkungen in komplexen Flüssigkeiten und ihre Beschreibung mit Molekulardynamiksimulationen
… [G. Mathias, B. Egwolf, M. Nonella, P. Tavan, J. Chem. Phys. 118, 10847-10860 (2003)]. Bei molekularmechanischen (MM) Molekulardynamik (MD) Simulationen ermöglicht dieser Algorithmus die Beschreibung sehr großer Systeme mit mehr als 10^5 Atomen auf einer Nanosekunden-Zeitskala. Für flüssiges …
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The decomposition of hydrogen peroxide vapor on catalytic surfaces
Thesis: Chem. E., Massachusetts Institute of Technology, Department of Chemical Engineering, 1960
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Ask for help: Online help-seeking and engagement for college students traditionally underrepresented in STEM
… in STEM (UR-STEM) and, in particular, chemistry (UR-Chem), may be reluctant to employ it. Students with longstanding under-representation in STEM and chemistry are non-males, first-generation college students, and AHN students (i.e., African American, Hispanic, Native American). …
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BORAHETEROHELICENES: SYNTHETIC METHODOLOGIES AND PROPERTIES OF A NOVEL CLASS OF BORON Π-CONJUGATED SYSTEMS
… is expected to strongly influence their physico-chemical properties leading to compounds characterized by peculiar features promising for applications in next generation functional materials. Despite the great potential of this class of compounds, only few examples of borahelicenes have been …
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The synthesis of perloline and some reactions of α, β unsaturated isocyanates with activated olefins / by Stephen Thomas Were
… synthesis of perloline` published in Aust. J. Chem., 1983, 36
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The study of proton-donor proton-acceptor interactions by infrared spectroscopy and computer modelling
… carboxylic acids were constructed using the Chem-X computer modelling package(Chemical Design Ltd.). Molecular energies were generated for the most stable acid conformations. For o-methoxybenzoic acid, the variation of molecular energy with the degree of internal rotation for the four bonds …
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