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Chemistry - Inorganic Chemistry | Applications of Density Functional Theory to Chemical Reactivity

Applications of Density Functional Theory to Chemical Reactivity

Series: Structure and Bonding, Vol. 149

Putz, Mihai V., Mingos, D. Michael P. (Eds.)

2012, IX, 189 p. 55 illus., 18 illus. in color.

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  • This series presents critical reviews of the present position and future trends in modern chemical research concerned with chemical structure and bonding
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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

Content Level » Research

Related subjects » Inorganic Chemistry

Table of contents 

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

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