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CO2 Binding in Zeolitic Imidazolate Frameworks from First Principles Calculations
CO2 Binding in Zeolitic Imidazolate Frameworks from First Principles Calculations
2011
Keith G. Ray
David L. Olmsted
Ning He
Yao Houndonougbo
Brian B. Laird
Mark Asta
Keywords:
Physical chemistry
Zeolitic imidazolate framework
van der Waals force
Sorption isotherm
Density functional theory
Chemistry
Electronic structure
Computational chemistry
Materials science
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