Dynamical and Quantumchemical Characteristics of Electronic Charge Density Transfer Processes
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Wolfram Lorenz
Exploration of electronic charge transfer requires quantumtheoretical support. On the line of previous work, the dynamical and quantumchemical foundation of electronic charge density transfer, or partial charge transfer in condensed-matter chemical processes, is explicated in terms of charge density conservation and local completeness of finite LCAO expansion. Accompanying discussion is focussed on recent ab-initio studies of partial charge transfer along constrained reaction paths of hydrogen and halogenide reactions on metals and semiconductors, and on an outline of different dynamical conditions of partial charge transfer in near-equilibrium and far-from-equilibrium processes. Emphasis is laid on partial charge injection in dark- and photoregimes of hydrogen reactions on n-GaAs, with annotation of reactions on p-GaAs and a look at p-conducting polymers.
Articles in the same Issue
- A Dielectric Relaxation Study of Lithium Salt Solutions in Dimethylsulfoxide
- Quantitative Determination of Photokinetic Parameters for Reversible Photoisomerizations in Light Scattering Adsorbent-Adsorbates
- Studies on Hydrogen Bond Formation of Papaverine and Pentazocine
- Reaction between 8-Hydroxyquinoline and Salicylic Acid in Solid State and Solution
- Particle Entropies and Entropy Quanta. I. The Ideal Gas
- Dynamical and Quantumchemical Characteristics of Electronic Charge Density Transfer Processes
- Raman Spectroscopic Studies of Scandium(III) Hydration in Aqueous Solution - about the First Hydration Sphere of Sc(III) in Solution
- T,p-Dependence of Self-Diffusion in the Lower N-methylsubstituted Amides
- Time Necessary for Reaching Chemical Equilibrium: First Passage Time Approach
Articles in the same Issue
- A Dielectric Relaxation Study of Lithium Salt Solutions in Dimethylsulfoxide
- Quantitative Determination of Photokinetic Parameters for Reversible Photoisomerizations in Light Scattering Adsorbent-Adsorbates
- Studies on Hydrogen Bond Formation of Papaverine and Pentazocine
- Reaction between 8-Hydroxyquinoline and Salicylic Acid in Solid State and Solution
- Particle Entropies and Entropy Quanta. I. The Ideal Gas
- Dynamical and Quantumchemical Characteristics of Electronic Charge Density Transfer Processes
- Raman Spectroscopic Studies of Scandium(III) Hydration in Aqueous Solution - about the First Hydration Sphere of Sc(III) in Solution
- T,p-Dependence of Self-Diffusion in the Lower N-methylsubstituted Amides
- Time Necessary for Reaching Chemical Equilibrium: First Passage Time Approach
