Predicting the potentials, solubilities and stabilities of metal-acetylacetonates for non-aqueous redox flow batteries using density functional theory calculations
Kucharyson, J F, Cheng, L, Tung, SO, Curtiss, LA, Thompson, L T
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2017)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2017)
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Journal Article
Modeling the Morphology and Phase Stability of TiO2 Nanocrystals in Water
Barnard, A. S, Zapol, P, Curtiss, L. A
Published in Journal of chemical theory and computation (01.01.2005)
Published in Journal of chemical theory and computation (01.01.2005)
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Journal Article
Computational Studies of Catechol and Water Interactions with Titanium Oxide Nanoparticles
Redfern, P. C, Zapol, P, Curtiss, L. A, Rajh, T, Thurnauer, M. C
Published in The journal of physical chemistry. B (16.10.2003)
Published in The journal of physical chemistry. B (16.10.2003)
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Journal Article
Assessment of Gaussian-3 and Density Functional Theories for Enthalpies of Formation of C 1 −C 16 Alkanes
Redfern, Paul C., Zapol, Peter, Curtiss, Larry A., Raghavachari, Krishnan
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.06.2000)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.06.2000)
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Journal Article
Lyotropic Liquid-Crystalline Gel Formation in a Room-Temperature Ionic Liquid
Firestone, Millicent A, Dzielawa, Julie A, Zapol, Peter, Curtiss, Larry A, Seifert, Sönke, Dietz, Mark L
Published in Langmuir (01.10.2002)
Published in Langmuir (01.10.2002)
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Journal Article
Charge Transfer Across the Nanocrystalline-DNA Interface: Probing DNA Recognition
Rajh, Tijana, Saponjic, Zoran, Liu, Jianqin, Dimitrijevic, Nada M., Scherer, Norbert F., Vega-Arroyo, Manuel, Zapol, Peter, Curtiss, Larry A., Thurnauer, Marion C.
Published in Nano letters (01.06.2004)
Published in Nano letters (01.06.2004)
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Journal Article
Density functional study of the TiO2–dopamine complex
Vega-Arroyo, Manuel, LeBreton, Pierre R., Rajh, Tijana, Zapol, Peter, Curtiss, Larry A.
Published in Chemical physics letters (02.05.2005)
Published in Chemical physics letters (02.05.2005)
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Journal Article
Effect of Atomic Layer Deposition Coatings on the Surface Structure of Anodic Aluminum Oxide Membranes
Xiong, Guang, Elam, Jeffrey W, Feng, Hao, Han, Catherine Y, Wang, Hsien-Hau, Iton, Lennox E, Curtiss, Larry A, Pellin, Michael J, Kung, Mayfair, Kung, Harold, Stair, Peter C
Published in The journal of physical chemistry. B (28.07.2005)
Published in The journal of physical chemistry. B (28.07.2005)
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Journal Article
Gaussian-3 theory using coupled cluster energies
Curtiss, Larry A, Raghavachari, Krishnan, Redfern, Paul C, Baboul, Anwar G, Pople, John A
Published in Chemical physics letters (26.11.1999)
Published in Chemical physics letters (26.11.1999)
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Journal Article
Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides: Surprisingly Demanding Targets for High-Level ab Initio Procedures
Sullivan, Michael B, Iron, Mark A, Redfern, Paul C, Martin, Jan M. L, Curtiss, Larry A, Radom, Leo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.07.2003)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.07.2003)
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Journal Article
Reducing Radicals in Nitrate Solutions. The NO32- System Revisited
COOK, Andrew R., DIMITRIJEVIC, Nada, DREYFUS, Benjamin W., MEISEL, Dan, CURTISS, Larry A., CAMAIONI, Donald M.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.04.2001)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.04.2001)
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