| 1 |
Theoretical characterization of stable eta(1)-N2O-, eta(2)-N2O-, eta(1)-N-2-, and eta(2)-N-2-bound species: Intermediates in the addition reactions of nitrogen hydrides with the pentacyanonitrosylferrate(II) ion
Olabe JA, Estiu GL
Inorganic Chemistry, 42(16), 4873, 2003 |
| 2 |
Kinetic, mechanistic, and DFT study of the electrophilic reactions of nitrosyl complexes with hydroxide
Roncaroli F, Ruggiero ME, Franco DW, Estiu GL, Olabe JA
Inorganic Chemistry, 41(22), 5760, 2002 |
| 3 |
The electrophilic reactions of pentacyanonitrosylferrate(II) with hydrazine and substituted derivatives. Catalytic reduction of nitrite and theoretical prediction of eta(1)-, eta(2)-N2O bound intermediates
Gutierrez MM, Amorebieta VT, Estiu GL, Olabe JA
Journal of the American Chemical Society, 124(35), 10307, 2002 |
| 4 |
Theoretical investigation on the electronic structure of pentacyano(L)ferrate(II) complexes with NO+, NO, and NO-ligands. Redox interconversion, protonation, and cyanide-releasing reactions
Lebrero MCG, Scherlis DA, Estiu GL, Olabe JA, Estrin DA
Inorganic Chemistry, 40(17), 4127, 2001 |
| 5 |
Projected unrestricted Hartree-Fock calculations and the magnetism of large nickel clusters
Estiu GL, Cory MG, Zerner MC
Journal of Physical Chemistry A, 104(2), 233, 2000 |
| 6 |
Calculations on the electronic structure and UV-visible spectrum of oxyhemocyanin
Estiu GL, Zerner MC
Journal of the American Chemical Society, 121(9), 1893, 1999 |
| 7 |
A semiempirical quantum approach to the formation of carbon dioxide adsorbates on Pt(100) and Pt(111) cluster surfaces
Zinola CF, Gomis-Bas C, Estiu GL, Castro EA, Arvia AJ
Langmuir, 14(14), 3901, 1998 |
| 8 |
A First Step to the Rational Design of an Organometallic Catalyst - Rhxhysnz(CH3)(N)
Jubert AH, Michelini MC, Estiu GL, Ferretti OA
Catalysis Letters, 46(3-4), 241, 1997 |
| 9 |
Quantum-Chemical Calculations of the Structures and Electronic-Properties of N,N’-bis(3,5-Dibromosalicylidene)-1,2-Diaminobenzene and Its Cobalt(II) Complex - Origin of the Redox Activity of the Cobalt Complex
Estiu GL, Jubert AH, Costamagna J, Vargas J
Inorganic Chemistry, 35(1), 263, 1996 |
| 10 |
Structural, Electronic, and Magnetic-Properties of Small Ni Clusters
Estiu GL, Zerner MC
Journal of Physical Chemistry, 100(42), 16874, 1996 |
