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Charge transition

Porter has termed these transitions charge-transfer excitations (CT). Possible one-electron contributions to the excitation of a molecule represented as DRA (D, donor R, chromophore A, acceptor) are... [Pg.315]

The target molecule can be considered in terms of the isolated electron involved in the transition, charge q, and a charge, q", determined by the dipole moment of the molecule, Pq, and its orientation with respect to the electron projectile. The effective charge in the collision is given by = q + where. [Pg.32]

The integration covers all electronic coordinates of chromophore m (the respective electron number is given by Nm), and the 6 -fund,ion guarantees that the electronic coordinate iq is replaced by the new variable x. If Eq. (15) is specified to g x) it gives the (permanent) electronic charge density in the electronic ground-state and g 2 x) is that of the excited electronic state. If a b the so-called transition charge density is obtained. [Pg.44]

Fig. 5 Coulomb coupling between Pheo m and n formulated in terms of atomic centered partial charges (transition charges) qml,. and qnv, Eq. (18). Fig. 5 Coulomb coupling between Pheo m and n formulated in terms of atomic centered partial charges (transition charges) qml,. and qnv, Eq. (18).
When the point-dipole approximation is no longer valid, the exact distribution of transition charges on the molecule is introduced. The difference between this distribution and that of the point dipoles is important only in short-range interactions and modifies only the analytic part of the dispersion. In particular, the retarded interactions (and the associated properties) are not modified. [Pg.33]

Figure 18 Models from which the excitonic coupling between pairs of peptide groups were calculated (a) The direction and location of the transition dipole of the amide I mode (118,123) from which the coupling between two peptide groups is calculated according to a dipole-dipole interaction term [Eqaution (28)] (b) The nuclear displacements, partial charges, and charge flow of the amide I normal mode obtained from a DFT calculation on deuterated N -methylacetamide (all experiments were performed in D2O) (42). With this set of transition charges, the multipole interaction is computed, avoiding the limitations of the dipole approximation. Figure 18 Models from which the excitonic coupling between pairs of peptide groups were calculated (a) The direction and location of the transition dipole of the amide I mode (118,123) from which the coupling between two peptide groups is calculated according to a dipole-dipole interaction term [Eqaution (28)] (b) The nuclear displacements, partial charges, and charge flow of the amide I normal mode obtained from a DFT calculation on deuterated N -methylacetamide (all experiments were performed in D2O) (42). With this set of transition charges, the multipole interaction is computed, avoiding the limitations of the dipole approximation.
If it be assumed that the d—d transitional charge distribution is a point-hexadeca-... [Pg.67]

B. Dreher, J. Friedrich, K. Merle, H. Rothhaas, G. Liihrs, The Determination of the Nuclear Ground State and Transition Charge Density from measured Electron Scattering Data, Nucl. Phys. A 235 (1974) 219-248. [Pg.255]


See other pages where Charge transition is mentioned: [Pg.325]    [Pg.560]    [Pg.58]    [Pg.257]    [Pg.371]    [Pg.585]    [Pg.257]    [Pg.185]    [Pg.23]    [Pg.23]    [Pg.35]    [Pg.38]    [Pg.45]    [Pg.56]    [Pg.67]    [Pg.131]    [Pg.221]    [Pg.77]    [Pg.10]    [Pg.226]    [Pg.332]    [Pg.472]    [Pg.500]    [Pg.447]    [Pg.45]    [Pg.45]    [Pg.46]    [Pg.50]    [Pg.74]    [Pg.26]    [Pg.85]    [Pg.306]    [Pg.334]    [Pg.27]    [Pg.237]    [Pg.371]    [Pg.586]    [Pg.447]    [Pg.212]   
See also in sourсe #XX -- [ Pg.38 ]

See also in sourсe #XX -- [ Pg.68 ]




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Charge transfer intramolecular transitions

Charge transfer phase transition

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Charge transfer transition state

Charge transfer transition, characteristics

Charge transfer transitions cobalt complexes

Charge transfer transitions complexes

Charge transfer transitions, donor-acceptor

Charge transfer transitions, optical

Charge-Transfer Excited States of Transition Metal Complexes

Charge-Transfer Transitions (CT)

Charge-transfer absorption band transition energy corresponding

Charge-transfer induced spin transition

Charge-transfer transition dipole moment

Charge-transfer transition energy

Charge-transfer transitions general considerations

Charge-transfer transitions metal-carbonyl complexes

Chromium complexes charge-transfer transitions

Cobalt complexes, absorption charge transfer transitions

Crystal charge transfer electronic transition

Crystal field charge transfer transition

Diels-Alder transition state charge transfer

Effective charge and transition-state

Effective charge and transition-state structure in solution

Effective charge transition metals, 497 table

Effective charges in transition states

Electronic spectra charge-transfer transitions

Electronic spectra intervalency charge-transfer transitions

Electronic spectroscopy charge transfer transitions

Energy pattern, charge-transfer transitions

Examples of Coordination Compounds with Charge Transfer Transitions

Excitation energy, charge-transfer transitions

Glass transition temperature charge transport

Information charge-transfer transitions

Inner-sphere charge transfer transitions

Intervalence charge transfer (IVCT) transitions

Intervalence charge transfer transitions

Iron complexes charge transfer transitions

Ligand-metal charge transfer LMCT) transitions

Ligand-to-metal charge transfer transitions LMCT)

Ligand-to-metal charge-transfer transition

Metal-ligand charge transfer transition MLCT)

Metal-ligand charge transfer transitions

Metal-to-ligand charge-transfer transition MLCT)

Minerals charge transfer electronic transition

Net Charges of Transition Metal Atoms

Neutral-Ionic Transition in Organic Charge-transfer Salts

Optical spectroscopy charge-transfer transitions

Other Charge-Transfer Transitions

Outer-sphere charge transfer transition

Oxygen — metal charge transfer transitions

Phase transitions charge ordering

Phase transitions critical nuclear charges

Poly charge transfer transition

Relaxation energy, charge-transfer transitions

Repulsion energy, charge-transfer transitions

Resonance Raman spectroscopy charge transfer transitions

Ruthenium complexes charge transfer transitions

Transition Metal Oxides Superconductivity, Charge-Ordering

Transition elements charges

Transition energy, charge-transfer transitions

Transition metal charge transfer systems

Transition metal complexes charge distribution

Transition metal complexes charge-transfer transitions

Transition metal ions charges

Transition state effective charges

Transition state, charge separation

Transition state, charge separation complex

Transition state, charge separation hydrogen bonded type

Transition state, charge separation polar

Transition state, charge separation structures

Transition state, charges

Transition-Monopole Treatments of Interaction Matrix Elements and Mixing with Charge-Transfer Transitions

Transitions charge-transfer

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