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Applications of Density Functional Theory to Chemical ReactivityApplications of Density Functional Theory to Chemical Reactivity

Applications of Density Functional Theory to Chemical Reactivity

D. Michael P. Mingos, Mihai V. Putz

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

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