Applications of Density Functional Theory to Chemical Reactivity

Applications of Density Functional Theory to Chemical Reactivity
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>
Details
- OL Work ID
- OL20875667W
Subjects
Chemical reactionsFunctional analysisReactivity (chemistry)Quantum theoryInorganic ChemistryChemistryChemistry, inorganic