Applications of Density Functional Theory to Chemical Reactivity

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189 pages 2012

About This Book

<p>Mihai V. Putz  Density Functional Theory of Bose-Einstein Condensation: Road to Chemical Bonding Quantum Condensate</p><p>Roman F. Nalewajski  Information Theory Insights into Molecular Electronic Structure and Reactivity</p><p>George Maroulis         Applying Conventional Ab Initio and Density Functional Theory Approaches to Electric Property Calculations. Quantitative Aspects and Perspectives.</p><p><p>Sourav Pal Descriptors as Probes for Inter-Molecular Interactions and External Perturbation</p><p><p>Abhijit Chatterjee       Application of Reactivity Indices within Density Functional Theory to Rationale Chemical Interactions</p><p><p><p><p>

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