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Mechanical modelling ligand field stabilization energy

The well known Irving-Williams series1253 2561 and the HSAB principle1257-1 are established empirical concepts related to the stability of metal complexes, and the question of whether these are accounted for in a general molecular mechanics approach have not always been appreciated when metal ion selectivities have been modeled via empirical force field calculations. The assumption that the position of the minima and the steepnesses of the potential energy functions for the metal-ligand bonds for varying metal ions and constant donor sets accurately reflect var-... [Pg.103]

See other pages where Mechanical modelling ligand field stabilization energy is mentioned: [Pg.19]    [Pg.115]    [Pg.150]    [Pg.160]    [Pg.442]    [Pg.145]    [Pg.52]    [Pg.56]    [Pg.131]    [Pg.132]    [Pg.83]    [Pg.338]    [Pg.113]    [Pg.107]    [Pg.156]    [Pg.419]    [Pg.205]   
See also in sourсe #XX -- [ Pg.455 ]



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Energies mechanism

Field Stabilization Energies

Field modeling

Field stability

Ligand field

Ligand field model

Ligand field stabilization energies models

Ligand field stabilization energy

Ligand mechanisms

Ligand model

Ligand stabilization

Ligand stabilizers

Ligands modeling

Mechanical energy

Mechanical models

Mechanical stability

Mechanical stabilization

Mechanics Model

Mechanics Modeling

Mechanism model

Mechanisms modeling

Model stability

Stability mechanism

Stabilizer mechanism

Stabilizing ligands

Stabilizing mechanisms

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