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Computational materials chemistry for carbon capture using porous materials
by
SHARMA, A
,
HUANG, RH
,
MALANI, A
,
BABARAO, R
Published in
Journal of Physics D: Applied Physics
(2017)
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2
Computational Electronic Spectroscopy Predictions for Astrochemical Ice Analogues and Data Analysis for Experimental Spectra
by
Wallace, Austin
Published 2022
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3
Data-driven catalyst design for electrochemical CO2 reduction reaction (CO2RR)
by
Talebi, Pooya
Published 2023
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Master Thesis
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Topic
Density Functional Theory
Amorphous Solids
1
Cabon dioxide reduction
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Carbon Utilization
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Catalysis
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Cationic Zeolites
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Charge Equilibration
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Chemistry--Physical
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Molecular-Dynamics Simulations
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Nanoporous Materials
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Nonperiodic Materials
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Porous Materials
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Quantum Chemistry
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Time Dependent Density Functional Theory
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Universal Force-Field
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Ocean acidification
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