Essays about: "Transition-State model"

Found 1 essay containing the words Transition-State model.

  1. 1. First-Principles calculations of Core-Level shifts in random metallic alloys: The Transition State Approach

    University essay from Institutionen för fysik, kemi och biologi

    Author : Christian Göransson (Asker); [2004]
    Keywords : Theoretical physics; Density-functional theory; Random Alloys; Coherent-Potential Approximation; Transition-State model; Complete Screening; Teoretisk fysik;

    Abstract : The overall aim of this thesis is to compare different methods for calculation of Core-Level shifts in metallic alloys. The methods compared are the Initial State model, the Complete screening and the Transition state model. Core-level shifts can give information of chemical bonding and about the electronic structure in solids. READ MORE