Search Results for Molecular dynamics.

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Molecular Dynamics Simulation of Polymer Nanocomposites in Extreme Environments

Rahmani, Farzin, author.

http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10792471

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Molecular Dynamics Simulation of Polymer Nanocomposites in Extreme Environments / Rahmani, Farzin

Understanding Inhibition of a Biodesulfurization Enzyme to Improve Sulfur Removal from Petroleum

Yu, Yue, author.

http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10902436

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inside the binding site. Umbrella sampling molecular dynamics was performed to obtain the energy penalty

Structure and Dynamics in Colloid-Polymer Mixtures Out of Equilibrium

Howard, Michael Patrick, author.

http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10823636

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Massive-scale molecular simulations are applied to study the structure and dynamics of colloids

Transport of Molecules through and on Carbon Nanostructures

Drahushuk, Lee William, author.

http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10903562

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a N 2/H2 separation and as an explanation for results observed in the molecular dynamics literature.

Predicting the Transport Properties of Aerosol Particles in Creeping Flow from the Continuum to the Free Molecule Regime

Corson, James, author. (orcid)0000-0003-1982-4029

http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10788586

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computationally-intensive direct simulation Monte Carlo or molecular dynamics approaches. Thus, there is a

Understanding Early Amyloid-β Aggregation to Engineer Polyacid-functionalized Nanoparticles as an Inhibitor Design Platform

Van der Munnik, Nicholas, author.

http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10789787

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interactions. Abeta was simulated using fully-atomistic replica exchange molecular dynamics. We use an ensemble

Controllable Free-Volume in Polymer-Grafted Nanoparticle Membranes: Origins, Characterization, and Applications

Buenning, Eileen N., author.

http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10830653

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further penetrant uptake. Therefore, we systematically study the structure and dynamics of matrix-free GNP

Developing Multi-Scale Models for Water Quality Management in Drinking Water Distribution Systems

Abokifa, Ahmed A., author.

http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10825885

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molecular dynamics simulations is employed to provide detailed descriptions of the chemical reactions

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