Donald Edwin Ellis

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Produções bibliográficas

• ELLIS, D. E. ; GUO, L. ; MUNDIM, K. ; HOFFMAN, B. M. . Macrocycle-macrocycle interactions within one-dimensional Cu Phtalocyanin chains. J Porph Phthal, Estados Unidos, v. 3, p. 196, 1999.

• ELLIS, D. E. ; MUNDIM, K. C. . Stochastical classical molecular dynamics coupled to density functional theory: applications to large molecularsystems. Brazilian Journal of Physics , Brasil, v. 29, p. 199, 1999.

• ELLIS, D. E. ; RPRODRIGUES ; CHANG, H. J. ; DRAVID, V. P. . Electronic structure of pristine and solute-incorporated SrTiO3: I. Perfect crystal geometry and acceptor doping. J Am Ceramics Soc, Estados Unidos, v. 82, p. 2373, 1999.

• ELLIS, D. E. ; RODRIGUES, R. ; CHANG, H. ; DRAVID, V. . Electronic structure of pristine and solute-incorporated SrTiO3: II. Grain boundary geometry and acceptor dopind. J Am Ceramics Soc, Estados unidos, v. 82, p. 2385, 1999.

• ELLIS, D. E. ; RODRIGUES, R. P. ; DRAVID, V. P. . Electronic structure of pristine and solute-incorporated SrTiO3: III. perfect crystal, grain boundary and acceptor doping. J Am Ceramics Soc, Estados Unidos, v. 82, p. 2395, 1999.

• ELLIS, D. E. ; XIAO, S. ; CHEN, T. ; ZHONG, B. . Uronium sulphate H2[CO(NH2)2]SO4. Acta Crystallographica C , EstadosUnidos, v. 55, p. 994, 1999.

• ELLIS, D. E. ; OKASINSKI, J. ; COHEN, J. B. ; HWANG, J. ; MASON, T. ; DING, Z. ; WARSCHKOW, O. . The defects and electronic structures of Ca doped Lanthanum cuprate. J Am Ceramics Soc, Estados unidos, v. 82, p. 2451, 1999.

• ELLIS, D. E. ; BERNER, A. ; FUKS, D. ; MUNDIM, K. C. ; DORFMAN, S. . Formation of nano-crystalline structure at the interface in Cu-C composite. Applied Surface Science , Estados Unidos, v. 144, p. 677, 1999.

• ELLIS, D. E. ; BERNER, A. ; MUNDIM, K. ; DORFMAN, S. ; FUKS, D. ; EVENHEIM, R. . Microstructure of Cu-C interface in Cu-based metal matrix composite. Sensors and Actuators , Estados unidos, v. 74, p. 86, 1999.

• ELLIS, D. E. ; ZENG, Z. ; GUENZBURGER, D. . Electronic structure, spin coupling and hyperfine properties of nanoscale molecular magnets. Physical Review B , Estados unidos, v. 59, p. 6927, 1999.

• ELLIS, D. E. ; MUNDIM, K. ; FUKS, D. ; DORFMAN, S. ; BERNER, A. . Interstitial carbon in copper:electronic and mechanical properties. Philosophical Magazine B - Physics of Condensed Matter Structural , Estados unidos, v. 79, p. 1615, 1999.

• ELLIS, D. E. ; CAO, P. L. ; DRAVID, V. P. . First principles study of initial stage of Ni thin film growth on a TiO2(110) surface. J Mater Res, Estados Unidos, v. 14, p. 3684, 1999.

• ELLIS, D. E. ; SAGERT, L. ; OLSON, G. . Chemical embrittlement of iron grain boundaries:P and the P/Mo couple. Philosophical Magazine B - Physics of Condensed Matter Structural , Inglaterra, v. 77, p. 871, 1998.

• ELLIS, D. E. ; TERRA, J. . Hyperfine interactions of cis and trans octahedral Fe2+ sites in the layered silicate Annite. J Am Ceramics Society, Estados Unidos, v. 81, p. 465, 1998.

• ELLIS, D. E. ; DORFMAN, S. ; FUKS, D. ; EVENHEIM, R. . Embedded cluster and super cell study of the structure of interstitial Cu-C solid solutions. Int J Quantum Chem, Estados Unidos, v. 70, p. 1085, 1998.

• ELLIS, D. E. ; GUENZBURGER, D. ; ZENG, Z. . First-principles calculations of Mossbauer hyperfine parameters for solids and large molecules. Hyperfine Interactions , Holanda, v. 113, p. 25, 1998.

• ELLIS, D. E. ; WARSCHKOW, O. ; DYKE, J. M. . A divide and conquer implementation of the Discrete variational method for large molecular and solid systems. Journal of Computational Physics , Estados Unidos, v. 143, p. 70, 1998.

• ELLIS, D. E. ; CHANG, H. ; LEE, J. D. ; RODRIGUES, R. P. ; DRAVID, V. P. . Electronic structure of Mn acceptor inpurity incorporated SrTiO3 using embedded cluster method. J Mater Synth And Processing, Estados unidos, v. 6, p. 323, 1998.

• ELLIS, D. E. ; FLORES, S. . Magnetic interactions in dimeric transition metal complexes: basic Erithro-Chromium(III). Inorganic Chemistry, Estados unidos, v. 37, p. 6346, 1998.

• ELLIS, D. E. ; CHANG, H. ; RODRIGUES, R. P. ; CHU, J. ; DRAVID, V. P. . Electronic structure of grain boundaries in SrTiO3. Ferroelectrics , Estados Unidos, v. 194, p. 249, 1997.

• ELLIS, D. E. ; MA, D. ; LIU, Y. ; CHEN, J. R. . DV-Xalpha calculation of optical spectra and their pressure-induced shifts for ruby. Commun Theor Phys, v. 28, p. 265, 1997.

• ELLIS, D. E. ; MA, D. . Optical spectra and their pressure induced shifts for MgO:Cr3+ and MgO:V2+. Journal of Luminescence , Estados Unidos, v. 71, p. 329, 1997.

• ELLIS, D. E. ; ZENG, Z. ; SANCHEZ, D. R. ; GUENZBURGER, D. ; BAGGIOSAITOVITCH, E. ; MICKLITZ, H. . Mossbauer spectroscopy of 57Fe in the compounds R(Ni0.99Fe0.01)2B2C (RE=Y,Gd,Tb,Dy,Ho,Er): theory and experiment. Physical Review B , estados Unidos, v. 55, p. 3087, 1997.

• ELLIS, D. E. ; TERRA, J. . Electronic structure, chemical bonding and hyperfine parameters in layered silicates. Physical Review B , Estados Unidos, v. 56, p. 1834, 1997.

• ELLIS, D. E. ; TERRA, J. . Hyperfine interactions in layered silicates. Hyperfine Interactions , Holanda, v. 2, p. 82, 1997.

• ELLIS, D. E. ; MURATA, K. ; LIU, K. ; JATHOMPSON ; BMHOFFMAN . Structural, electrical, magnetic and spectroscopic properties of ring-oxidized molecular metals produced by iodination of metal-free and nickel tetrabenzporphyrins. Inorganic Chemistry, Estados Unidos, v. 36, p. 3363, 1997.

• ELLIS, D. E. ; JIANG, T. . Co K edge spectra of oxides. J Mater Res, Estados Unidos, v. 11, p. 2242, 1996.

• ELLIS, D. E. ; ITSUMI, Y. . Electronic bonding characteristics of hydrogen in bcc Iron. I. Interstitials. J Mater Res, Estados Unidos, v. 11, p. 2206, 1996.

• ELLIS, D. E. ; WU, Y. ; MASON, T. O. ; SHEN, L. . Point defects of La2CuO4-based ceramics(I): Oxygen interstitials. J Am Ceramics Soc, Estados Unidos, v. 79, p. 1599, 1996.

• ELLIS, D. E. ; SHEN, Q. ; LEE, Y. ; HALPERIN, W. P. ; THOMPSON, J. A. ; HOFFMAN, B. M. . Magnetic properties of a Cu1-cNic(pc)I spin chain. Int J Mag Magn Matl, Estados Unidos, v. 152, p. 139, 1996.

• ELLIS, D. E. ; ZENG, Z. ; GUENZBURGER, D. ; BAGGIOSAITOVITCH, E. . Electronic structure of Ni-substituted Y(Ni1-xMx)B2C superconductors. Phys Rev B, Estados Unidos, v. 53, p. 6613, 1996.

• ELLIS, D. E. ; GUENZBURGER, D. . Density functional study of fcc iron and iron particles in copper. J Appl Phys, Estados Unidos, v. 79, p. 6429, 1996.

• ELLIS, D. E. ; ITSUMI, Y. . Electronic bonding characteristics of Hydrogen in bcc iron.II.Grain boundaries. J Mater Res, Estados Unidos, v. 11, p. 2214, 1996.

• ELLIS, D. E. ; GUO, L. ; HOFFMAN, B. M. ; ISHIKAWA, Y. . Ligand substitution effect on electronic structure and optical properties of nickel porphyrazines. Inorg Chem, Estados Unidos, v. 35, p. 5304, 1996.

• ELLIS, D. E. ; ZENG, Z. ; GUENZBURGER, D. ; BAGGIOSAITOVITCH, E. . Spin density and magnetism of rare-earth Nickel borocarbides: RENi2B2C. Phys Rev B, Estados Unidos, v. 54, p. 13020, 1996.

• ELLIS, D. E. ; ZENG, Z. ; GUENZBURGER, D. ; BAGGIOSAITOVITCH, E. . Effect of magnetism on superconductivity in rare-earth compounds REBNi2B2C. Physica C , Estados Unidos, v. 271, p. 23, 1996.

• ELLIS, D. E. ; WU, Y. . X-ray absorption near-edge spectra and electronic structure of rhodium compounds. J Phys Condens Matter, Inglaterra, v. 7, p. 3973, 1995.

• ELLIS, D. E. ; SHEN, Q. . Solid-solid interface and solid solution of oxides with rock-salt structure (I): lattice properties. Phys Rev B, Estados Unidos, v. 51, p. 15732, 1995.

• ELLIS, D. E. ; ROBINSON, L. ; BAIN, R. ; SHRIVER, D. F. . Electronic Structure of Mo6 based compounds:a density functional treatment. Inorg Chem, Estados Unidos, v. 34, p. 5588, 1995.

• ELLIS, D. E. ; GUENZBURGER, D. . Magnetic and hyperfine properties of fcc Fe. Phys Rev B, Estados Unidos, v. 51, p. 12519, 1995.

• ELLIS, D. E. ; GUO, L. ; BAGGIOSAITOVITCH, E. . Electronic structure and hyperfine interactions of T,T* and T´phases of (La1-xGdx)2Cu1-yFeyO4. J Phys Cond Mat, Inglaterra, v. 7, p. 5025, 1995.

• ELLIS, D. E. ; GUENZBURGER, D. . Magnetic properties of gamma-Fe and gamma-Fe/Al particles in copper. Phys Rev B, Estados Unidos, v. 52, p. 13390, 1995.

• ELLIS, D. E. ; GUENZBURGER, D. . Discrete Variational Method and its applications to solids and large molecules. In: P.-O. Lowdin. (Org.). Advances in Quantum chemistry. : Academic Press, 1999, v. 34, p. 51-.

• ELLIS, D. E. ; MUNDIM, K. ; DRAVID, V. ; JWRYLANDER . Hybrid classical and quantum modelling of defects, interfaces and surfaces. In: A. Pechenik; R. K. Kalia; P. Vashishta. (Org.). Computer aided design of high temperature materials. Oxford: Oxford University Press, 1999, v. , p. 350-.

• ELLIS, D. E. ; WU, Y. ; HOFFMAN, S. A. . X-ray absorption near-edge structure and electronic structure of La2-x(AE)xcuO4-y (AE=Ca,sr,Ba). In: J. H. Smmons; E. R. Fuller. (Org.). Computational Modeling of Materials and Processing. : American ceramic Society, 1997, v. 69, p. 107-.

• ELLIS, D. E. ; KOWADA, Y. . Embedde cluster models for electronic state of silicate glasses. In: P.-O. Lowdin. (Org.). Advances in Quantum Chemistry. : Academic press, 1997, v. 29, p. 233-.

• ELLIS, D. E. ; GUO, J. . Embedded cluster models of electronic structure of oxide surfaces. In: E. Ilisca; K. Makoshi. (Org.). Electron processe at solid surfaces:. Singapore: World Scientific, 1996, v. , p. 205-.

• ELLIS, D. E. . Embedded Clusters:a viable approach to surfaces and impurities. In: D. E. Ellis. (Org.). Electronic density functional theory of molecules, clusters and solids. Dordrecht: Kluwer, 1995, v. , p. 263-.

• ELLIS, D. E. ; MUNDIM, K. C. ; FUKS, D. ; DORFMAN, S. ; BERNER, A. . Simulations of defect and diffusion properties in the interstitial Cu-C solid solutions. In: Symposium of the Materials Research Society, 1998. Proceedings of the Symposium of the Materials research Society, 1998. v. 527. p. 69.

• ELLIS, D. E. ; CHEN, X. ; OLSON, G. B. . Effects of alloying elements on iron grain boundary cohesion. In: Symposium of the Materials Research Society, 1998. Proceedings of the Materials Research Society Symposium, 1998. v. 492. p. 243.

• ELLIS, D. E. ; CHEN, X. ; OLSON, G. B. . Effects of impurities and alloying elements on iron grain boundary cohesion. In: Symposium of the Materials Reseach Society, 1997. Proceedings of the Materials Research Society, 1997. v. 475. p. 499.

• ELLIS, D. E. ; GUO, L. ; GUBANOVA, O. V. ; HOFFMAN, B. M. . Ligand substitution effect on optical properties in conducting tetraazoporphyrines. In: Symposium of the Materials Research Society, 1995. proceedings of the Symposium of the Materials Research Society, 1995. v. 393. p. 137.

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