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  • × University of Michigan
  • × Density Functional Theory
 全选  【符合条件的数据共：8条】

1 Computational Discovery of Metal-Organic Frameworks for Carbon Capture and Natural Gas Storage. [学位论文]

作者:Koh, Hyun SeungLu, Wei   

论文开放时间:2014

关键词:Metal-Organic Frameworks;Density Functional Theory;...

培养单位:University of Michigan

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2 An Electronic Structure Approach to Charge Transfer and Transport in Molecular Building Blocks for Organic Optoelectronics. [学位论文]

作者:Hendrickson, Heidi PhillipsBricker, Leah Ann   

论文开放时间:2015

关键词:Density Functional Theory;Time-Dependent Density Functional Theory;...

培养单位:University of Michigan

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3 Liquid State Physics of the MgO-SiO2 System at Deep Mantle Pressures. [学位论文]

作者:de Koker, Nico Pieter JanRuff, Larry John   

论文开放时间:2008

关键词:Melt;Deep Earth;...

培养单位:University of Michigan

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4 Development of Asymmetric Sulfoxidation Catalysts Based on Functional Modelsfor Vanadium-Dependent Haloperoxidases. [学位论文]

作者:Schneider, Curtis J.Penner-Hahn, James E.   

论文开放时间:2009

关键词:Vanadium Dependent Haloperoxidases;Peroxovanadium;...

培养单位:University of Michigan

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5 Density Functional Theory Studies on the Relative Reactivity ofChloroethenes on Zerovalent Iron. [学位论文]

作者:Lim, Dong HeeWooldridge, Margaret S.   

论文开放时间:2008

关键词:Dechlorination Mechanism of Reductive Beta-elimination;Density Functional Theory;...

培养单位:University of Michigan

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6 Atomistic Modelling Approaches to the Challenges in Lithium-Sulfur Batteries [学位论文]

作者:Park, HaesunLu, Wei   

论文开放时间:2019

关键词:Li-S Batteries;Density Functional Theory;...

培养单位:University of Michigan

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