Ferryl (Fe=O) termination of the hematite alpha-Fe2O3(0001) surface
Lemire, C, Bertarione, S, Zecchina, A, Scarano, D, Chaka, A, Shaikhutdinov, S, Freund, H-J
Published in Physical review letters (29.04.2005)
Published in Physical review letters (29.04.2005)
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Impurity-driven structural deformations in 2D- and 3D-ordered gold nanowires
Tavazza, F., Levine, L.E., Chaka, A.M.
Published in Computational and theoretical chemistry (01.05.2012)
Published in Computational and theoretical chemistry (01.05.2012)
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The fifth industrial fluid properties simulation challenge
Case, Fiona H., Chaka, Anne, Moore, Jonathan D., Mountain, Raymond D., Olson, James D., Ross, Richard B., Schiller, Martin, Shen, Vincent K., Stahlberg, Eric A.
Published in Fluid phase equilibria (15.11.2009)
Published in Fluid phase equilibria (15.11.2009)
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The second industrial fluid properties simulation challenge
Case, Fiona, Chaka, Anne, Friend, Daniel G., Frurip, David, Golab, Joseph, Gordon, Peter, Johnson, Russell, Kolar, Petr, Moore, Jonathan, Mountain, Raymond D., Olson, James, Ross, Rick, Schiller, Martin
Published in Fluid phase equilibria (20.09.2005)
Published in Fluid phase equilibria (20.09.2005)
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Journal Article
The first industrial fluid properties simulation challenge
Case, Fiona, Chaka, Anne, Friend, Daniel G, Frurip, David, Golab, Joseph, Johnson, Russell, Moore, Jonathan, Mountain, Raymond D, Olson, James, Schiller, Martin, Storer, Joey
Published in Fluid phase equilibria (10.03.2004)
Published in Fluid phase equilibria (10.03.2004)
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Structure and reactivity of the hydrated hematite (0 0 0 1) surface
Trainor, Thomas P., Chaka, Anne M., Eng, Peter J., Newville, Matt, Waychunas, Glenn A., Catalano, Jeffrey G., Brown, Gordon E.
Published in Surface science (10.12.2004)
Published in Surface science (10.12.2004)
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