Search Results - "Ross, N. L."

General rules for predicting phase transitions in perovskites due to octahedral tilting by ANGEL, R. J, ZHAO, J, ROSS, N. L

“…Recent experiments on several oxide perovskites reveal that they undergo tilt phase transitions to higher-symmetry phases on increasing pressure and that…”
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New view of the high-pressure behaviour of GdFeO3-type perovskites by Zhao, J., Ross, N. L., Angel, R. J.

“…Recent determinations of the structures of several GdFeO3‐type orthorhombic perovskites (ABO3) show that the octahedra in some become more tilted with…”
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Crystal structure and equation of state of MgSiO3 perovskite by Vanpeteghem, C. B., Zhao, J., Angel, R. J., Ross, N. L., Bolfan-Casanova, N.

“…We have re‐examined the crystal structure and equation of state of MgSiO3 perovskite by single‐crystal X‐ray diffraction up to 10 GPa. We have determined an…”
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Bond Paths and van der Waals Interactions in Orpiment, As2S3 by Gibbs, G. V, Wallace, A. F, Zallen, R, Downs, R. T, Ross, N. L, Cox, D. F, Rosso, K. M

“…The calculated electron density distribution for orpiment, As2S3, reveals that As−S, S−S, and As−As bond paths are associated with the experimental interlayer…”
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Shared and Closed-Shell O−O Interactions in Silicates by Gibbs, G. V, Downs, R. T, Cox, D. F, Ross, N. L, Boisen, M. B, Rosso, K. M

“…Bond paths of maximum electron density spanning O−O edges shared between equivalent or quasiequivalent MO n (n > 4) coordination polyhedra are not uncommon…”
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Role of Directed van der Waals Bonded Interactions in the Determination of the Structures of Molecular Arsenate Solids by Gibbs, G. V, Wallace, A. F, Cox, D. F, Dove, P. M, Downs, R. T, Ross, N. L, Rosso, K. M

“…Bond paths, local energy density properties, and Laplacian, L(r) = −▽2ρ(r), composite isosurfaces of the electron density distributions were calculated for the…”
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Experimental Bond Critical Point and Local Energy Density Properties Determined for Mn−O, Fe−O, and Co−O Bonded Interactions for Tephroite, Mn2SiO4, Fayalite, Fe2SiO4, and Co2SiO4 Olivine and Selected Organic Metal Complexes: Comparison with Properties Calculated for Non-Transition and Transition Metal M−O Bonded Interactions for Silicates and Oxides by Gibbs, G. V, Downs, R. T, Cox, D. F, Rosso, K. M, Ross, N. L, Kirfel, A, Lippmann, T, Morgenroth, W, Crawford, T. D

“…Bond critical point (bcp) and local energy density properties for the electron density (ED) distributions, calculated with first-principle quantum mechanical…”
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Electron Density Distributions Calculated for the Nickel Sulfides Millerite, Vaesite, and Heazlewoodite and Nickel Metal:  A Case for the Importance of Ni−Ni Bond Paths for Electron Transport by Gibbs, G. V, Downs, R. T, Prewitt, C. T, Rosso, K. M, Ross, N. L, Cox, D. F

“…Bond paths and the bond critical point properties (the electron density (ρ) and the Hessian of ρ at the bond critical points (bcp's)) have been calculated for…”
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Theoretical Electron Density Distributions for Fe- and Cu-Sulfide Earth Materials:  A Connection between Bond Length, Bond Critical Point Properties, Local Energy Densities, and Bonded Interactions by Gibbs, G. V, Cox, D. F, Rosso, K. M, Ross, N. L, Downs, R. T, Spackman, M. A

“…Bond critical point and local energy density properties together with net atomic charges were calculated for theoretical electron density distributions, ρ(r),…”
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Determination of the magnetic contribution to the heat capacity of cobalt oxide nanoparticles and the thermodynamic properties of the hydration layers by Spencer, E C, Ross, N L, Parker, S F, Woodfield, B F, Boerio-Goates, J, Smith, S J, Olsen, R E, Kolesnikov, A I, Navrotsky, A, Ma, C

“…We present low temperature (11 K) inelastic neutron scattering (INS) data on four hydrated nanoparticle systems: 10 nm CoO·0.10H(2)O (1), 16 nm…”
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Estimation of polyhedral compressibilities and structural evolution of GdFeO3-type perovskites at high pressures by Zhao, J., Ross, N. L., Angel, R. J.

“…A new approach based on the bond‐valence matching relation is developed to predict the detailed structural evolution of GdFeO3‐type perovskites at high…”
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The electron localization function: a tool for locating favorable proton docking sites in the silica polymorphs by Gibbs, G. V., Cox, D. F., Boisen, M.B., Downs, R. T., Ross, N. L.

“…The ELF electron localization function was used to locate regions ascribed to localized nonbonding electrons as favorable docking sites for hydrogen atoms in…”
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Marek's Disease Is a Natural Model for Lymphomas Overexpressing Hodgkin's Disease Antigen (CD30) by Burgess, S. C., Young, J. R., Baaten, B. J. G., Hunt, L., Ross, L. N. J., Parcells, M. S., Kumar, P. M., Tregaskes, C. A., Lee, L. F., Davison, T. F., Witter, Richard L.

“…Animal models are essential for elucidating the molecular mechanisms of carcinogenesis. Hodgkin's and many diverse non-Hodgkin's lymphomas overexpress the…”
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Comparison of the Electron Localization Function and Deformation Electron Density Maps for Selected Earth Materials by Gibbs, G. V, Cox, D. F, Ross, N. L, Crawford, T. D, Downs, R. T, Burt, J. B

“…The electron localization function (ELF) and experimental and theoretical deformation electron density maps are compared for several earth materials and one…”
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Stability of high-density clinoenstatite at upper-mantle pressures by Angel, R. J, Chopelas, A, Ross, N. L

“…SILICATE pyroxenes are major components in mineralogies! models of the Earth's upper mantle1,2, with the transformation of chain-silicate pyroxenes to denser…”
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Functional conservation between structurally diverse ribosomal proteins from Drosophila melanogaster and Saccharomyces cerevisiae: fly L23a can substitute for yeast L25 in ribosome assembly and function by Ross, Carrie L.N, Patel, Ranoo R, Mendelson, Tamra C, Ware, Vassie C

“…The proposed Drosophila melanogaster L23a ribosomal protein features a conserved C-terminal amino acid signature characteristic of other L23a family members…”
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Structural characterization of pentacoordinate silicon in a calcium silicate by Angel, R. J, Ross, N. L, Seifert, F, Fliervoet, T. F

“…IN silicate minerals formed at pressures typical of the Earth's crust, the silicon is usually coordinated by four oxygen atoms. In contrast, silicates formed…”
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Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction by Zhao, J, Ross, N L, Angel, R J

“…The structural changes of CaSnO3, a GdFeO3-type perovskite, have been investigated to 7 GPa in a diamond-anvil cell at room temperature using single-crystal…”
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Food allergic teens: education, anaphylaxis and concerns by Ross, NL, Gillespie, CA, Unruh, CR, Becker, AB

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Compressibility of CaZrO3 perovskite: Comparison with Ca-oxide perovskites by ROSS, N. L, CHAPLIN, T. D

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