学位论文

1 Computational characterization of disordered metal-organic frameworks [学位论文]

作者:Han, Rebecca, Sholl, David S. Chemical and Biomolecular Engineering Lively, Ryan P. Walton, Krista S. Wilkinson, Angus P. Nair, Sankar, Sholl, David S.

论文开放时间:2019

关键词:MOFs;Computational;...

培养单位:University:Georgia Institute of Technology

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摘要

2 Computational prediction, characterization, and methodology development for two-dimensional nanostructures: phosphorene and phosphide binary compounds. [学位论文]

作者:Congyan Zhang

论文开放时间:2019

关键词:2D materials;DFT;...

培养单位:University:University of Louisville

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3 Computational modeling of electronically excited states in cobalamin-dependent reactions. [学位论文]

作者:Brady D. Garabato

论文开放时间:2018

关键词:b12;photochemistry;...

培养单位:University:University of Louisville

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4 Excited States of d6 and d8 Transition Metal Complexes [学位论文]

作者:Huff, Gregory Stephen, Gordon, Keith

论文开放时间:2017

关键词:Raman;Spectroscopy;...

培养单位:University of Otago

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5 Hybrid computational modeling of thermomagnetic material systems [学位论文]

作者:Kim, Sookyung Kyung, Garmestini, Hamid Materials Science and Engineering Jang, Seung Soon Fujimoto, Richard Deo, Chaitanya S. Benedict, Lorin Khaleel, Mohammad A., Garmestini, Hamid

论文开放时间:2017

关键词:Computational material science;Rare-earth material;...

培养单位:University:Georgia Institute of Technology

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6 Homogeneous ligand-centered hydrogen evolution and hydrogen oxidation : exploiting redox non-innocence to drive catalysis. [学位论文]

作者:Andrew Z. Haddad

论文开放时间:2017

关键词:hydrogen;catalysis;...

培养单位:University:University of Louisville

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摘要