Published in
Elsevier, Chemical Engineering Journal, 3(171), p. 775-781
DOI: 10.1016/j.cej.2010.10.035
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Towards rapid computational screening of metal-organic frameworks for carbon dioxide capture: Calculation of framework charges via charge equilibration
Journal article published in 2011 by
Christopher E. Wilmer,
Randall Q. Snurr 
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