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- Emily A. Jarvis, Anne M. Chaka,
“Oxidation Mechanism and Ferryl Domain Formation on the α-Fe2O3 (0001) Surface”
- Surface Science, 601, 1909 (2007).
- Kunaljeet S. Tanwar, Cynthia S. Lo, Peter J. Eng, Jeffrey G. Catalano, Donald A. Walko, Gordon E. Brown, Jr., Glenn A. Waychunas, Anne M. Chaka, and Thomas P. Trainor,
“Surface Diffraction Study of the Hydrated Hematite (1102)”
- Surface Science, 601, 460 (2007).
- Gordon E. Brown, Jr., Thomas P. Trainor, and Anne M. Chaka,
“Geochemistry of Mineral Surfaces and their Reactions with Water and Metal Complexes”
- Chemical Bonding at Surfaces and Interfaces, Editors: Anders Nilsson and Jens Norskov, Elsevier, New York (2007).
- Fiona Case, John Brennan, Anne Chaka, Kerwin Dobbs, Daniel G. Friend, David Frurip, Peter Gordon, Jonathan Moore, Raymond D. Mountain, James Olson, Richard B. Ross, Martin Schiller, and Vince Shen,
“The Third Industrial Fluid Properties Simulation Challenge”
- Fluid Phase Equilbria, 260, 153 (2007).
- J. A. Stroscio, F. Tavazza, J. N. Crain, R. J. Celotta, and A. M. Chaka,
- "
Electronically Induced Atom Motion in Engineered CoCun Nanostructures," (Preprint 158 kB)

Science, 313, 948 (2006).
- M. Batzill, K. Katsiev, J.M. Burst, U. Diebold, A.M. Chaka , B. Delley,
“Gas-Phase-Dependent Properties of SnO2 (110), (100), and (101) Single-Crystal Surfaces; Structure, Composition, and Electronic Properties”
- Physical Review B, 72, 165414 (2005).
- Fiona Case, Anne Chaka, Daniel G. Friend, David Frurip, Joseph Golab, Peter Gordon, Russell Johnson, Petr Kolar, Jonathan Moore, Raymond D. Mountain, James Olson, Rick Ross and Martin Schiller,
“The Second Industrial Fluid Properties Simulation Challenge”
- Fluid Phase Equilbria, 236, 1 (2005).
- R.D. Mountain and A.M. Chaka,
“The Challenges in Developing Molecular-Simulations of Fluid Properties for Industrial Applications”
- Annual Reports in Computational Chemistry, 1, 239 (2005).
- T.P. Trainor, A.M. Chaka, P.J. Eng, M. Newville, J. Catalano, G.A. Waychunas, and G.E. Brown Jr,
“Structure and Reactivity of the Hydrated Hematite (0001) Surface”
- Surface Science, 573, 204 (2004).
- F. Tavazza, A.M. Chaka, and L.E. Levine,
“Vacancy formation energy near an Edge Dislocation: A hybrid quantum-classical study”
- Proceedings of Dislocation 2004 Conference, (2004).
- M. Batzill, A.M. Chaka, and U. Diebold,
“Surface oxygen chemistry of a gas-sensing material: SnO2 (101)”
- Europhys. Lett., 65, 61 (2004).
- Fiona Case, Anne Chaka, Daniel G. Friend, David Frurip, Joseph Golab, Russell Johnson, Jonathan Moore, Raymond D. Mountain, James Olson, Martin Schiller, and Joey Storer,
“The First Industrial Fluid Properties Simulation Challenge”
- Fluid Phase Equilibria, 217, 1 (2004).
- Phillip. R. Westmoreland, Peter A. Kollman, Anne M. Chaka, Peter T. Cummings, Keiji Morokuma, Matthew Neurock, Ellen B. Stechel, and Priya Vashista,
“Applying Molecular and Materials Modeling”,
- Kluwer Academic Publishers, Dordrecht/Boston/ London (2002).
- Craig NC, Oertel CM, Oertel DC, Tubergen MJ, Lavrich RJ, and Chaka AM,
“Structure of cis,trans-1,4-Difluorobutadiene From Microwave Spectroscopy”
- J. Phys. Chem. A, 106, 4230 (2002).
- Xiao-Gang Wang, Anne M. Chaka, Matthias Scheffler,
“Effect of the Environment on α-Al2O3 (0001) Surface Structures”
- Phys. Rev. Letters , 84, 3650 (2000).
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