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 622 for “"chemical reactions"”.
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Students' Mental Models of Chemical Reactions
… research on topics such as atomic structure and chemical bonding indicates that students’ mental models are often inconsistent with the scientific models, which may impede learning of advanced concepts. International research suggests that model-based teaching and learning in science education …
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The steric courses of chemical reactions.
Thesis: Ph. D., Massachusetts Institute of Technology, Department of Chemistry, 1973
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Accelerating process development of complex chemical reactions
Process development of new complex reactions in the pharmaceutical and fine chemicals industries is challenging, and expensive. The field is beginning to see a bridging between fundamental first-principles investigations, and utilisation of data-driven statistical methods, such as machine learning. …
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Chemical reactions induced in a microwave discharge.
Massachusetts Institute of Technology. Dept. of Chemical Engineering. Thesis. 1966. Ph.D.
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How do metalloenzymes propagate and control chemical reactions?
… control and propagate a dizzying array of chemical reactions, including radical reactions and reactions cleaving carbon-carbon bonds. Metalloenzymes, which contain a metal cofactor, are particularly adept at propagating these reactions. This thesis focuses on several metalloenzymes; each an …
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Magnetic resonance studies of chemical reactions in microemulsions
… (BZ) reaction is the preeminent oscillating chemical reaction for the study of pattern formation in reaction-diffusion systems. The dispersal of the reaction in a water-in-oil AOT microemulsion (BZ-AOT reaction) gives rise to an extended range of patterns, including dash waves, segmented …
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Poisson representation methods for stochastic models of chemical reactions
… of the stochastic master equation approach to chemical reactions is presented. After a review of the various system size expansion methods that have been developed for an asymptotic solution of stochastic master equations, a new technique, the Poisson representation method is introduced. The …
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A master equation approach to nonlinear optics and chemical reactions
… concentration fluctuations and correlations in chemically reacting systems, using the stochastic master equation approach. The time dependent fluctuations and spatial correlations are discussed for a space dependent model of a linear chemically reacting system. These results are compared with …
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Assessment of Reactivity Descriptors for the Study of Chemical Reactions
… is available to study molecular systems and chemical reactions. In this light, ab initio many body techniques enable us, without any experimental input, to compute molecular energetics and a whole range of chemical properties. A twofold classification can be made, separating wave function …
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Kernel-based Lagrangian method for imperfectly-mixed chemical reactions, A
Current Lagrangian (particle-tracking) algorithms used to simulate diffusion-reaction equations must employ a certain number of particles to properly emulate the system dynamics---particularly for imperfectly-mixed systems. The number of particles is tied to the statistics of the initial …
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Computational Analysis of Molecules and Chemical Reactions from Cheminformatic Databases
A large number of organic reactions feature post-transition state bifurcations. Selectivities in such reactions are difficult to analyse because they cannot be determined by comparing the energies of competing transition states. Molecular dynamics approaches can provide answers but are …
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Laboratory experiments of chemical reactions on polar stratospheric cloud particles
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1994.
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Nuclear spin transfer studies of chemical reactions in living systems
Thesis (Ph. D.)--Massachusetts Institute of Technology, Harvard-MIT Division of Health Sciences and Technology Program in Medical Engineering and Medical Physics, 1987.
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Predicting Chemical Reactions at the MechanisticLevel through Deep Reinforcement Learning
… in chemistry. Previous work has mostly targeted chemical product prediction only, but did not elucidate any mechanisms or elementary steps from which the reaction proceeds. Here, we attempt to predict chemical mechanisms via deep reinforcement learning. We first define a new type of graph …
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Formation, characterization, and chemical reactions of free radicals in lignin
… functioned as photosensitizers accelerating photochemical reactions of lignin. Termination and decomposition reactions of mechano-radicals and photoinduced free radicals in lignin ultimately lead to the formation of para- and ortho-quinones, carbonyl groups, and double bonds which cause the color …
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On actino-chemical reactions: J.F.W. Herschel’s photographic spectra with botanical matter
… a much more complex scope of spectral, chemical, and photographic experimentation. With this thesis, I study the scope, conduct and context of the experiments. I employ the re-creative research method, reconstructing the instrumentation, reperforming the experiments, and creating new …
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Functionalization of Metal Oxide Surfaces through Chemical Reactions and Physical Adsorption
… surface can dramatically change its physical and chemical properties. The research described herein is built on the foundation of traditional techniques used for synthesis, characterization, and functionalization of metal oxides and develops new mechanisms and materials for the functionalization …
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