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 7 of 7 for “"direct dynamics"”.
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Ab initio and Direct Quasiclassical Trajectory Study of the F + CH₄ → HF + CH₃ and F + C₂H₆ → HF + C₂H₅ Reactions
… Hamiltonians is an emerging method used in direct dynamics studies. The use of semiempirical Hamiltonians in direct dynamics studies diminishes the computational cost of trajectory calculations and negates the need for an analytical potential energy surface when performing reaction dynamics …
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Potential energy function development and dynamics of energy transfer and fragmentation for collisions of protonated peptide ions with organic surfaces
… has been used to prepare microarrays. Chemical dynamics simulations give near quantitative energy transfer probabilities for projectile ion collisions with surfaces as compared to experimental results, and there is substantial interest to extend this work to soft-landing. However, to model these …
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Dynamic analysis of anthropomorphic manipulators in computer animation
… examined through the use of a Hybrid Inverse and Direct Dynamics System, HIDDS, based on Featherstone's formulation. The inverse system is used to get an initial estimate of the values of the forces and torques needed to move the model to the required position. Once the values of these …
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Modelo biomecânico de corpo inteiro com coordenadas naturais para análise de movimento humano
… estimating variables which cannot be measured directly in a noninvasive way. Here, the push-up exercise was analyzed using a whole body model, which can be considered as a closed-loop multibody system, with a focus on the upper limbs and trunk. The movement was performed by 12 healthy …
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Theoretical studies of the dynamics of gas-phase and gas/surface atom+alkane reactions and of the structure and dynamics of water confined between hydrophobic surfaces
Comprehension of reactive chemical dynamics in the gas phase and at the gas/organic-surface interface and non-reactive dynamics at the interface between hydrophobic surfaces and water requires an understanding of the fundamental atomic and molecular interactions that undergird these important …
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Dynamics and Kinetics of Singlet Oxygen Mediated Oxidation of Methionine in the Gas Phase, Hydrated Clusters and Solution
… The study started from probing the reaction dynamics between the isolated protonated/deprotonated methionine ions with <sup>1</sup>O<sub>2</sub> in the gas phase, transited through the same systems micro-solvated with explicit water molecules in gaseous hydrated clusters, and concluded with …
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Singlet Oxygen Oxidation of Guanine, 9-Methylguanine and Guanine-Cytosine Base Pair: Dynamics and Kinetics Revealed by Parallel Gas- and Solution-Phase Experiments and Computations
… research has focused on reaction mechanism, dynamics and kinetics of <sup>1</sup>O<sub>2</sub> oxidation of guanine, 9-methylguanine and guanine-cytosine base pair, from the gas-phase bare ions, through hydrated clusters, to aqueous solution. Various techniques have been adapted in the work, …