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Results: 1-25/27
Authors:
Dorfman, S
Mundim, KC
Fuks, D
Berner, A
Ellis, DE
Van Humbeeck, J
Citation: S. Dorfman et al., Atomistic study of interaction zone at copper-carbon interfaces, MAT SCI E C, 15(1-2), 2001, pp. 191-193
Authors:
Guenzburger, D
Ellis, DE
Citation: D. Guenzburger et De. Ellis, Fully relativistic calculations of the effect of pressure on the magnetismof EuCO2P2, J MAGN MAGN, 226, 2001, pp. 1111-1112
Authors:
Fuks, D
Mundim, KC
Malbouisson, LAC
Berner, A
Dorfman, S
Ellis, DE
Citation: D. Fuks et al., Carbon in copper and silver: diffusion and mechanical properties, J MOL ST-TH, 539, 2001, pp. 199-214
Authors:
Guenzburger, D
Ellis, DE
Gomez, JA
Citation: D. Guenzburger et al., Relativistic one-electron approach to the effect of pressure on the magnetism of EuCo2P2 - art. no. 214418, PHYS REV B, 6421(21), 2001, pp. 4418
Authors:
Schramm, DU
Terra, J
Rossi, AM
Ellis, DE
Citation: Du. Schramm et al., Configuration of CO2- radicals in gamma-irradiated A-type carbonated apatites: Theory and experimental EPR and ENDOR studies - art. no. 024107, PHYS REV B, 6302(2), 2001, pp. 4107
Authors:
Clark, LA
Ellis, DE
Snurr, RQ
Citation: La. Clark et al., A Fukui function overlap method for predicting reactivity in sterically complex systems, J CHEM PHYS, 114(6), 2001, pp. 2580-2591
Authors:
Fuks, D
Dorfman, S
Mundim, KC
Ellis, DE
Citation: D. Fuks et al., Stochastic molecular dynamics in simulations of metalloid impurities in metals, INT J QUANT, 85(4-5), 2001, pp. 354-367
Authors:
Bain, RL
Shriver, DF
Ellis, DE
Citation: Rl. Bain et al., Extended materials based on the [Mo6Cl8](4+) building block bridged by 4,4'-bipyridine, INORG CHIM, 325(1-2), 2001, pp. 171-174
Authors:
Deng, KM
Ding, ZN
Ellis, DE
Michel, SLJ
Hoffman, BM
Citation: Km. Deng et al., Optical, magnetic, and electronic properties of peripherally fused macrocycles: Molybdocene porphyrazines, INORG CHEM, 40(6), 2001, pp. 1110-1115
Authors:
Guo, CX
Warschkow, O
Ellis, DE
Dravid, VP
Dickey, EC
Citation: Cx. Guo et al., Oxide-oxide interfaces: Atomistic and density functional study of cubic-ZrO2(100)vertical bar vertical bar NiO(111), J AM CERAM, 84(11), 2001, pp. 2677-2684
Authors:
Ellis, DE
Mundim, KC
Fuks, D
Dorfman, S
Berner, A
Citation: De. Ellis et al., Modeling of copper-carbon solid solutions, MAT SC S PR, 3(1-2), 2000, pp. 123-127
Authors:
Erdman, N
Warschkow, O
Ellis, DE
Marks, LD
Citation: N. Erdman et al., Solution of the p(2 x 2) NiO(111) surface structure using direct methods, SURF SCI, 470(1-2), 2000, pp. 1-14
Authors:
Ellis, DE
Lutz, EJ
Odom, JM
Buchanan, RJ
Bartlett, CL
Lee, MD
Harkness, MR
Deweerd, KA
Citation: De. Ellis et al., Bioaugmentation for accelerated in situ anaerobic bioremediation, ENV SCI TEC, 34(11), 2000, pp. 2254-2260
Authors:
Ellis, DE
Mundim, KC
Fuks, D
Dorfman, S
Berner, A
Citation: De. Ellis et al., Interstitial carbon in copper: electronic and mechanical properties, PHIL MAG B, 79(10), 1999, pp. 1615-1630
Authors:
Guo, L
Ellis, DE
Mundim, KC
Hoffman, BM
Citation: L. Guo et al., Macrocycle-macrocycle interactions within one-dimensional Cu phthalocyanine chains, J PORPHYR P, 3(3), 1999, pp. 196-209
Authors:
Berner, A
Mundim, KC
Ellis, DE
Dorfman, S
Fuks, D
Evenhaim, R
Citation: A. Berner et al., Microstructure of Cu-C interface in Cu-based metal matrix composite, SENS ACTU-A, 74(1-3), 1999, pp. 86-90
Authors:
Cao, PL
Ellis, DE
Dravid, VP
Citation: Pl. Cao et al., First-principles study of initial stage of Ni thin-film growth on a TiO2 (110) surface, J MATER RES, 14(9), 1999, pp. 3684-3689
Authors:
Berner, A
Fuks, D
Ellis, DE
Mundim, K
Dorfman, S
Citation: A. Berner et al., Formation of nano-crystalline structure at the interface in Cu-C composite, APPL SURF S, 145, 1999, pp. 677-681
Authors:
Zeng, Z
Guenzburger, D
Ellis, DE
Citation: Z. Zeng et al., Electronic structure, spin couplings, and hyperfine properties of nanoscale molecular magnets, PHYS REV B, 59(10), 1999, pp. 6927-6937
Authors:
Chen, TL
Xiao, SX
Zhong, B
Stern, CL
Ellis, DE
Citation: Tl. Chen et al., Uronium sulfate, [OHC(NH2)(2)](2)(SO4), ACT CRYST C, 55, 1999, pp. 994-996
Authors:
Mundim, KC
Ellis, DE
Citation: Kc. Mundim et De. Ellis, Stochastic classical molecular dynamics coupled to functional density theory: Applications to large molecular systems, BRAZ J PHYS, 29(1), 1999, pp. 199-214
Authors:
Ellis, DE
Guenzburger, D
Citation: De. Ellis et D. Guenzburger, The discrete variational method in density functional theory and its applications to large molecules and solid-state systems, ADV QUANT C, 34, 1999, pp. 51-141
Authors:
Rodrigues, RP
Chang, HJ
Ellis, DE
Dravid, VP
Citation: Rp. Rodrigues et al., Electronic structure of pristine and solute-incorporated SrTiO3: I, perfect-crystal-geometry and acceptor doping, J AM CERAM, 82(9), 1999, pp. 2373-2384
Authors:
Rodrigues, RP
Chang, HJ
Ellis, DE
Dravid, VP
Citation: Rp. Rodrigues et al., Electronic structure of pristine apd solute-incorporated SrTiO3: II, grain-boundary geometry and acceptor doping, J AM CERAM, 82(9), 1999, pp. 2385-2394
Authors:
Rodrigues, RP
Ellis, DE
Dravid, VP
Citation: Rp. Rodrigues et al., Electronic structure of pristine and solute-incorporated SrTiO3: III, perfect-crystal grain-boundary geometry, and acceptor doping, J AM CERAM, 82(9), 1999, pp. 2395-2401