Adsorption Sites and Binding Nature of CO 2 in Prototypical Metal−Organic Frameworks: A Combined Neutron Diffraction and First-Principles Study

Wu, H; Simmons, JM; Gadipelli, S; Zhou, W; Yildirim, T; (2010) Adsorption Sites and Binding Nature of CO 2 in Prototypical Metal−Organic Frameworks: A Combined Neutron Diffraction and First-Principles Study. [Letter]. The Journal of Physical Chemistry Letters , 1 (13) pp. 1946-1951. 10.1021/jz100558r .

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