M
Maureen I. McCarthy
Researcher at Environmental Molecular Sciences Laboratory
Publications - 19
Citations - 1859
Maureen I. McCarthy is an academic researcher from Environmental Molecular Sciences Laboratory. The author has contributed to research in topics: Ab initio & Binding energy. The author has an hindex of 16, co-authored 19 publications receiving 1781 citations. Previous affiliations of Maureen I. McCarthy include Pacific Northwest National Laboratory.
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Journal ArticleDOI
Metal Oxide Surfaces and Their Interactions with Aqueous Solutions and Microbial Organisms.
Gordon E. Brown,Victor E. Henrich,William H. Casey,David Clark,Carrick M. Eggleston,Andrew R. Felmy,D. Wayne Goodman,Michael Grätzel,Gary E. Maciel,Maureen I. McCarthy,Kenneth H. Nealson,Dimitri A. Sverjensky,Michael F. Toney,John M. Zachara +13 more
TL;DR: This poster presents a probabilistic procedure to constrain the number of particles in the response of the immune system to the presence of Tau.
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Water chemistry on surface defect sites : chemidissociation versus physisorption on mgo(001)
TL;DR: In this article, the results of a theoretical study that probed the chemistry of water at structural defects on the MgO (001) surface were compared to the hydroxylation energies for the same sites.
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Correlation corrected periodic Hartree–Fock study of the interactions between water and the (001) magnesium oxide surface
TL;DR: A theoretical study of water adsorption on the surface of a three-layer (001) magnesium oxide film has been performed using periodic Hartree-Fock (PHF) theory with density functional-based correlation corrections as discussed by the authors.
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Structure and dynamics of the water/MgO interface
TL;DR: In this article, a pairwise additive potential energy expression for the water/MgO interaction was obtained by fitting the parameters to ab initio electronic structure energy data, computed using correlation-corrected periodic Hartree−Fock (PHF) theory, at selected adsorbate/surface geometries.
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Ab initio determination of the bulk properties of MgO
TL;DR: Ab initio periodic Hartree-Fock (HF) theory was used to determine the elastic constants and selected phonon frequencies of bulk MgO and these data will be used to parametrize electrostatic shell models of M gO.