Lawrence Berkeley National Laboratory / P. Ind. / Cambridge University Press / ASSOCIATED CONTENT / H. F. Ind. / /
Country
United States / United Kingdom / / /
Event
Environmental Issue / /
Facility
Molecular Foundry / University of Minnesota / University of California / Supercomputing Institute / /
IndustryTerm
quantum-chemical calculations / carbon capture technologies / minimum-energy configuration / metal−organic frameworks / energy penalty / regeneration energy / hydrogen-bonded lowest-energy diamine complex / aqueous amine solutions / energy barriers / adsorption site / metal centersis / open metal sites / energy profile / quantum-chemical study / metal centers / adsorption energy / state-of-theart technology / aqueous solutions / energy calculations / average adsorption energy / aqueous solution / metal sites / metal−organic framework / open metal site / chemical bonds / aqueous alkanolamine solutions / amine binding energy / energy / /
Organization
Cambridge University / Supercomputing Institute / Chemical Theory Center / U.S. Department of Energy / University of California / Berkeley / University of Minnesota / Minneapolis / Department of Chemistry / /
Person
Allison L. Dzubak / Alison McManus / † Thomas / Laura Gagliardi / Thomas M. McDonald / Christopher J. Cramer / Amine / Xueqian Kong / Roberta Poloni / /
Communication pubs.acs.org/JACS The Mechanism of Carbon Dioxide Adsorption in an AlkylamineFunctionalized Metal−Organic Framework Nora Planas,†,# Allison L. Dzubak,†,# Roberta Poloni,‡,∥ Li-Chiang Lin,‡ Aliso