Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry
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John Wiley & Sons, Inc.
Reference219 articles.
1. The 1994 Alcan Award Lecture Density functional theory as a practical tool in studies of organometallic energetics and kinetics. Beating the heavy metal blues with DFT
2. Approximate density functional theory as a practical tool in molecular energetics and dynamics
3. Understanding reactivity with Kohn-Sham molecular orbital theory: E2-SN2 mechanistic spectrum and other concepts
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