Applications of Density Functional Theory to Chemical Reactivity

• Corporate Author: SpringerLink (Online service)
• Other Authors: Putz, Mihai V. (Editor), Mingos, D. Michael P. (Editor)
• Format: Electronic eBook
• Language: English
• Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2012.
• Series: Structure and Bonding, 149
• Subjects: Chemistry.; Inorganic chemistry.; Inorganic Chemistry.
• Physical Description: IX, 189 p. online resource.
• ISBN: 9783642327537
• ISSN: 0081-5993 ;

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.