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The structures of transition metal-transition metal alloys
Journal of Solid State Chemistry, 1984Abstract A structure map using the average electron count and d orbital energy difference as indices is used to sort transition metal alloys of stoichiometry AB . The gross features of the map are mimicked by tight-binding calculations. The inclusion of s orbitals on the metal atoms appear to be important in the determination of alloy structure ...
Jeremy K. Burdett, Timothy J. McLarnan
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Transition Metal Dendrimer Catalysts
ChemInform, 2006AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Berger, A. +2 more
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Density functional theory for transition metals and transition metal chemistry
Physical Chemistry Chemical Physics, 2009We introduce density functional theory and review recent progress in its application to transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and range-separated functionals, band theory, software, validation tests, and applications to spin states, magnetic exchange coupling, spectra, structure, reactivity, and catalysis,
Christopher J, Cramer, Donald G, Truhlar
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Investigation of Some Transition Metal Oxides Exhibiting Metal — Non Metal Transitions
1974Pure VO2 shows a metal — non metal transition at Tt = 340°K. The transition was studied in V1−xFexO2 for x < 0.04 by Mossbauer effect, electrical conductivity and photoelectron spectroscopy. The semimetallic phase of Fe3O4 above the Verwey transition temperature Tv = 119°K was studied by Mossbauer effect by measuring the changes in charge and spin ...
C. Blaauw +3 more
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Semiconducting transition metal oxides
Journal of Physics: Condensed Matter, 2015Open shell transition metal oxides are usually described as Mott or charge transfer insulators, which are often viewed as being disparate from semiconductors. Based on the premise that the presence of a correlated gap and semiconductivity are not mutually exclusive, this work reviews electronic structure calculations on the binary 3d oxides, so to ...
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Transition-metal coordinate bonds for bioinspired macromolecules with tunable mechanical properties
Nature Reviews Materials, 2021Eesha Khare +2 more
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Metallaphotoredox: The Merger of Photoredox and Transition Metal Catalysis
Chemical Reviews, 2022Amy Y. Chan +2 more
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New Strategies for the Transition-Metal Catalyzed Synthesis of Aliphatic Amines
Chemical Reviews, 2020Aaron Trowbridge +2 more
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