Applications of Density Functional Theory to Chemical Reactivity (eBook, PDF)

Redaktion: Putz, Mihai V.; Mingos, D. Michael P.

• Format: PDF

Produktbeschreibung

Mihai V. Putz Density Functional Theory of Bose-Einstein Condensation: Road to Chemical Bonding Quantum Condensate

Roman F. Nalewajski Information Theory Insights into Molecular Electronic Structure and Reactivity

George Maroulis Applying Conventional Ab Initio and Density Functional Theory Approaches to Electric Property Calculations. Quantitative Aspects and Perspectives.

Sourav Pal Descriptors as Probes for Inter-Molecular Interactions and External Perturbation

Abhijit Chatterjee Application of Reactivity Indices within Density Functional Theory to Rationale Chemical Interactions

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Produktdetails

• Verlag: Springer Berlin Heidelberg
• Seitenzahl: 189
• Erscheinungstermin: 18. Januar 2013
• Englisch
• ISBN-13: 9783642327537
• Artikelnr.: 43784778

Inhaltsangabe

From the Contents: Density Functional Theory of Bose-Einstein Condensation: Road to Chemical Bonding Quantum Condensate - Information Theory Insights into Molecular Electronic Structure and Reactivity - Applying Conventional Ab Initio and Density Functional Theory Approaches to Electric Property Calculations. Quantitative Aspects and Perspectives - Descriptors as Probes for Inter-Molecular Interactions and External Perturbation - Application of Reactivity Indices Within Density Functional Theory to Rationale Chemical Interactions