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Transition metals structures

The transition metal structures consist of close-packed (p. 26) arrays of relatively large atoms. Between these atoms, in the holes , small atoms, notably those of hydrogen, nitrogen and carbon, can be inserted, without very much distortion of the original metal structure. to give interstitial compounds (for example the hydrides, p. 113). [Pg.368]

The PM3 semi-empirical model turns in a surprisingly good account of metal-carbon (carbon monoxide) bond distances in these compounds. While PM3 is not as good as the best of the (density functional) models, individual bond lengths are typically within a few hundredths of an A from their respective experimental values, and larger deviations are uncommon. In view of cost considerations, PM3 certainly has a role in transition-metal structural chemistry. [Pg.148]

Evidently, the existence of electronic interactions between the D and A units in the ground state can be unequivocally established on the basis of electrochemical studies. A recent report has reviewed the electrochemical properties of donor-linked fullerenes as a function of the attached chromophores including transition metal structures,... [Pg.171]

Figure 5. Ranges of average M S bond lengths for bis(dithiolene) transition metal structures. Figure 5. Ranges of average M S bond lengths for bis(dithiolene) transition metal structures.
Transition metals can exceed the constraints of organic functionalities and assume coordination numbers greater than four in a wide array of structural geometries. For this reason, many transition metals are present in biological systems to serve (at least partly) a structural role, allowing a macromolecule to assume a particular conformation that would be impossible without a transition-metal structural element. Another useful... [Pg.11]

Complexes of tetradentate macroheterocyclic ligands with transition metals, structure and spectra of 80UK2032. [Pg.338]

Intercalation into structures such as transition metal structures or graphite, where the layer is oxidized or reduced. [Pg.171]

For the treatment of large polyatomic systems, computational methodologies deal with a compromise between an overall description of the entire system and a more detailed handling of a properly selected part of it. This situation particularly applies to the transition metal structures that have to be drastically minimized for an adequate ob initio, local density functional, or even semiempirical calculation at a good correlation level. In contrast to this simplification of the system, the improvements of the simpler methods, which are capable of handling the system as a whole, have regained acceptability. This is the case of the EHMO method developed by Hoffman [19], which was initially used for a reasonable description of the structural and electronic properties of the systems at a frozen geometry. Improvements of this method are mainly related to the addition of the (two-body electrostatic correction) term as explained above [20,21],... [Pg.107]


See other pages where Transition metals structures is mentioned: [Pg.473]    [Pg.64]    [Pg.97]    [Pg.37]    [Pg.327]    [Pg.1039]    [Pg.427]   
See also in sourсe #XX -- [ Pg.12 ]

See also in sourсe #XX -- [ Pg.693 , Pg.694 ]




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A New Look at Structure and Bonding Transition Metal Complexes

B3LYP geometry, transition metal structure

Backbone structure transition metals coordination

Band Structure of Transition Metals

Band structure bulk transition metal

Bond strengths, transition metal electronic structure

Carbenes, complexes with transition metals electronic structure

Chain structure transition metal incorporation

Coordination sites in host mineral structures accommodating transition metal ions

Crystal Structures of Early Transition Metals

Crystal structure of transition metals

Density functional theory transition metal compound structure

Dimeric structures transition metals

Electronic Structure of Naked, Ligated and Supported Transition Metal Clusters from First Principles Density Functional Calculations

Electronic structure of transition metal

Electronic structure of transition metal clusters

Electronic structure transition metal compounds

Electronic structure transition-metal dichalcogenides

Geometric calculations transition metal electronic structure

Hartree-Fock approximation transition metal electronic structure

Hydride-transition metal clusters, structures

Lewis-like structures in transition metal bonding

Metal clusters, transition structure variation

Metathesis transition metal-enyne structure

Mixed-ligand complexes, transition metal structural studies

Molecular Structures II Compounds of Transition Metals

Molecular Structures of Transition Metal Complexes

Monodentate ligands, transition metal structural studies

Nickel compounds transition metal electronic structure

Olefin transition metal complexes structure

Olefin transition-metal complexes structural studies

Organomagnesium transition-metal compounds, structures

Organometallic complexes, transition metal molybdenum structures

Parameter 80 values, transition metal electronic structure

Pressure dependence band structure, transition metals

Spin-orbit coupling transition metal electronic structure

Structural Alternatives Transition-metal Nitrides

Structural Chemistry of Organo-Transition Metal Complexes

Structural Insight into Transition Metal Oxide Containing Glasses by Molecular Dynamic Simulations

Structural studies transition metal alkyls

Structural studies, transition metal

Structural studies, transition metal dithiocarbamates

Structural trends within transition metals

Structurally colored transition metal containing

Structure and Bonding in Transition-Metal Clusters

Structure and characteristics of key transition metals

Structure of Chiral Ferrocenylphosphines and their Transition-Metal Complexes

Structure of transition metal hexacyanoferrates

Structure representation transition metal complexes

Structure supported transition metal catalysts

Structure transition metal peroxides

Structures and bonding in transition metal complexes

The Electronic Structure of Transition Metal Compounds

The Electronic Structures of Transition Metal Complexes

The Structures of Transition Metal Carbides

Transition metal allenyl complexes structure

Transition metal bonding Lewis-like structures

Transition metal borides, crystal structures

Transition metal carbonyl complexes structure determination

Transition metal carbonyls structure

Transition metal clusters structural data

Transition metal clusters, boron atoms structure

Transition metal complexes (coordination structure

Transition metal complexes electronic structure

Transition metal complexes ligand electronic structure

Transition metal complexes structure

Transition metal complexes, excited state structural dynamic

Transition metal complexes, structural

Transition metal compounds band structure

Transition metal compounds structure

Transition metal electron structure

Transition metal electronic structure

Transition metal enolates structure

Transition metal hexacyanoferrates structure

Transition metal ions structure

Transition metal local atomic structure

Transition metal oxides structure

Transition metal phosphate vanadium structures

Transition metal silicides electronic structure

Transition metal systems, electronic structure examination

Transition metals backbone structure

Transition metals band structure

Transition metals crystal structure determination

Transition metals crystal structures

Transition metals homoleptic structures

Transition metals metal enyne structures

Transition metals molecular structures

Transition metals structural roles

Transition structures metal enolate formation

Transition-metal clusters structure

Transition-metal complexes chemical structures

Transition-metal derivatives structural parameters

Transition-metal sulfide catalysts crystal structure

Transition-metal sulfide catalysts electronic structure importance

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