Exchange stabilization

Within the first-order estimations made here, it is apparent that no change in d-d repulsion energy accompanies the hydration process. Second-order adjustments would, of course, take account of the change in mean i/-orbital radius on complex formation. Let us agree to stop at the simple level of correction here. Overall, therefore, the significant Coulombic change on hydration concerns the loss of exchange stabilization. 

U - A is reduced significantly by the intraatomic-exchange stabilization Ae. Where w = U, this energy is reduced still further by screening, and a charge-transfer disproportionation reaction becomes possible. This most favorable situation applies in the case of CaFeOa-... 

The same phenomenon that leads to Hund s rule of maximum multiplicity in atoms (i.e., quantum-mechanical exchange stabilization) produces polarization of the electron spins in the C-H a bond. In a valence-bond treatment, the bond is comprised of one electron from a carbon sp2 orbital and another from a hydrogen Is orbital. Exchange forces act to polarize the sp2 electron so that its spin is parallel to the unpaired spin in the carbon 2p orbital this leaves the... 

The magnitude of JAF has been interpreted by using parameters that reflect the extent of electron exchange stabilization (155-159), the... 

It is generally accepted that the most suitable zeolites for resid processing as well as maximum octane-barrel applications are of the RE-USY type. The rare-earth exchange/ stabilization is tailored to match the FCC unit s LPG/ Gasoline quality requirements. For the... 

Permits gas exchange stabilizes soil structure increases permeability... 

Like their related methods such as the Intermediate Neglect of Differential Overlap (INDO) [2] and Modified Intermediate Neglect of Differential Overlap (MINDO) [6] the methods already mentioned have a number of features in common. They are all self-consistent field (SCF) methods that take into account electrostatic repulsion and exchange stabilization and where all integrals are evaluated by approximate means. They are further characterized by the fact that they all use a restricted basis set, that is, one s oibital and three p orbitals per atom, except for the hydrogen atom, which is represented by an s orbital. 

Sun N, Liu LV et al (2010) S K-edge X-ray absorption spectroscopy and density functional theory studies of high and low spin FeNO thiolate complexes exchange stabilization of electron delocalization in FeNO and Fe02 - Inorg Chem 50 427-436... 

After the emergency period following the damaging energy exchange, stabilize the process. 

The 3d 4s -3d 4s energy separation of the Ti atom is 0.81 eV and thus the " 4) state is favored via spin-exchange stabilization energy. Note that the 3d population of the " 4> state is between 2.0 and 3.0 indicating considerable mixing of the two configurations. The dipole moment of TiH is increased compared to ScH and VH (Chong et al. 1986). 

Note that the Fock matrix still has the same basic form all diagonal elements represent the one-electron energies of the atomic orbital modified by the electron-core attraction due to all other nuclei, the electron-electron repulsion due to all the odier electrons in the system, and an exchange stabilization term. The off-diagonal terms are much simpler, being the sum of the resonance integral and exdiange stabilization. 

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