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Metal binding selectivity of oxa-aza macrocyclic ligand: a DFT study of first- and second-row transition metal for four coordination systems
(SPRINGER/PLENUM PUBLISHERSNEW YORK, 2012)
A detailed theoretical study of the 1,7,1l,17-tetraoxa-2,6,12,16-tetraaza-cycloeicosane ligand ([20]AneN(4)O(4)) coordinated to Fe2+, Co2+, Ni2+, Ru2+, Rh2+, and Pd2+ transition metal ions was carried out with the B3LYP ...
Cooperative elastic fluctuations provide tuning of the metal-insulator transition
(2019)
Metal-to-insulator transitions driven by strong electronic correlations occur frequently in condensed matter systems, and are associated with remarkable collective phenomena in solids, including superconductivity and ...
First- and second-row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation
(SPRINGERNEW YORK, 2012)
A theoretical study of structures of the 1,7,1 l,17-tetraoxa-2,6,12,16-tetraaza-cycloeicosane ligand ([20]AneN(4)O(4)) coordinated to Fe2+, Co2+, Ni2+, Ru2+, Rh2+, and Pd2+ transition metals ions was carried out with the ...
Tuning the insulator-metal transition in oxide interfaces: an ab initio study exploring the role of oxygen vacancies and cation interdiffusion
(Wiley VCH Verlag, 2014-07)
We investigate the structural, electronic, and magnetic properties of a particular interface in the oxide heterostructures LaAlOmath formula/SrTiOmath formula (LAO/STO) and TiOmath formula-anatase/LaAlOmath formula (TiOmath ...
Metal-insulator transition in Nd1-xEuxNiO 3 compounds
(2006-07-05)
Polycrystalline Nd1-xEuxNiO3 (0≤x≤0.5) compounds were synthesized in order to investigate the character of the metal-insulator (MI) phase transition in this series. Samples were prepared through the sol-gel route and ...
Preparation of Cd/Al layered double hydroxides and their intercalation reactions with phosphonic acids
(Royal Soc ChemistryCambridgeInglaterra, 1997)
Ethylene adsorption onto natural and transition metal modified Chilean zeolite: An operando DRIFTS approach
(Microporous and Mesoporous Materials, 2020)
Ethylene adsorption onto natural and transition metal modified Chilean zeolite: An operando DRIFTS approach
(Microporous and Mesoporous Materials, 2020)
Probing the mechanism of the Heck reaction with arene diazonium salts by electrospray mass and tandem mass spectrometry
(Wiley-v C H Verlag GmbhWeinheimAlemanha, 2004)