Periodic Hartree−Fock Characterization of the Structure and Electronic Properties of Zeolite NaCaA
White, Julia C, Nicholas, John B, Hess, Anthony C
Published in The journal of physical chemistry. B (23.01.1997)
Published in The journal of physical chemistry. B (23.01.1997)
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Journal Article
Ab Initio Periodic Hartree-Fock Investigation of a Zeolite Acid Site
Nicholas, John B, Hess, Anthony C
Published in Journal of the American Chemical Society (01.06.1994)
Published in Journal of the American Chemical Society (01.06.1994)
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Journal Article
High-coverage adsorption of alkali metals at the CaO and MgO (100) surfaces
Alfonso, Dominic R, Jaffe, John E, Hess, Anthony C, Gutowski, Maciej
Published in Surface science (01.11.2000)
Published in Surface science (01.11.2000)
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Journal Article
Multicenter Integration Scheme for Electronic Structure Calculations of Periodic and Nonperiodic Polyatomic Systems
Lin, Zijing, Jaffe, John E, Hess, Anthony C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.04.1999)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.04.1999)
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Journal Article
Toward high-performance computational chemistry: II. A scalable self-consistent field program
Harrison, Robert J., Guest, Martyn F., Kendall, Rick A., Bernholdt, David E., Wong, Adrian T., Stave, Mark, Anchell, James L., Hess, Anthony C., Littlefield, Rik J., Fann, George L., Nieplocha, Jaroslaw, Thomas, Greg S., Elwood, David, Tilson, Jeffrey L., Shepard, Ron L., Wagner, Albert F., Foster, Ian T., Lusk, Ewing, Stevens, Rick
Published in Journal of computational chemistry (15.01.1996)
Published in Journal of computational chemistry (15.01.1996)
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Journal Article
Ab initio force field of the S4 conformation of silicic acid (H4SiO4)
Hess, Anthony C, McMillan, P. F, O'Keeffe, Michael
Published in Journal of physical chemistry (1952) (01.03.1987)
Published in Journal of physical chemistry (1952) (01.03.1987)
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Journal Article
An ab Initio Periodic Hartree-Fock Study of Group IA Cations in ANA-Type Zeolites
Anchell, James L, White, Julia C, Thompson, Michael R, Hess, Anthony C
Published in Journal of physical chemistry (1952) (01.04.1994)
Published in Journal of physical chemistry (1952) (01.04.1994)
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Journal Article
Periodic Hartree-Fock study of nitric acid monohydrate crystal: bulk and clean surface
Poshusta, R. D, Tseng, D. C, Hess, Anthony C, McCarthy, Maureen I
Published in Journal of physical chemistry (1952) (01.07.1993)
Published in Journal of physical chemistry (1952) (01.07.1993)
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Journal Article
Adsorption of CO on MgO supported alkali monolayers: a periodic density functional local density approximation and generalized gradient approximation study
Snyder, James A., Jaffe, John E., Lin, Zijing, Hess, Anthony C., Gutowski, Maciej
Published in Surface science (20.01.2000)
Published in Surface science (20.01.2000)
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Journal Article
First-principles studies of adsorption of CO on the Na(100) surface
Alfonso, Dominic R., Snyder, James A., Jaffe, John E., Hess, Anthony C., Gutowski, Maciej
Published in Surface science (10.05.2000)
Published in Surface science (10.05.2000)
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