The book explores advanced concepts in density functional theory, introducing key chemical descriptors such as chemical action, electronegativity, and chemical hardness. It employs the quantum statistical framework of the path integral Feynman-Kleinert formalism to analyze electronic density and chemical reactions, considering internal and environmental interactions. By evaluating these descriptors in a prototype many-electronic system, it aims to enhance understanding of chemical reactivity and predict transformations and bond formation, grounding these concepts in both conceptual and analytical physical principles.
Mihai V. Putz Density Functional Theory of Bose-Einstein Condensation: Road to Chemical Bonding Quantum CondensateRoman F. Nalewajski Information Theory Insights into Molecular Electronic Structure and ReactivityGeorge 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 PerturbationAbhijit Chatterjee Application of Reactivity Indices within Density Functional Theory to Rationale Chemical Interactions
The series Structure and Bonding publishes critical reviews on research related to chemical structure and bonding, encompassing the entire Periodic Table and addressing issues associated with all elements. It emphasizes modern areas of structural and theoretical chemistry, including nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters, and supramolecular structures. The series covers physical and spectroscopic techniques for determining and modeling structures, focusing on scientific results rather than the techniques themselves. It also explores the development of bonding models and generalizations that clarify reactivity pathways and rates of chemical processes. Each volume is thematic, aiming to provide a comprehensive overview of emerging insights relevant to a broader scientific audience. Reviews critically survey specific aspects of the topic and contextualize them within the volume. Key developments from the past 5 to 10 years are highlighted with examples to illustrate discussed principles. While exhaustive data coverage is not required, conceptual clarity on new principles is essential for non-specialists. Future research directions are encouraged. Review articles are invited by volume editors. The series is intended for research scientists and graduate students, with a special offer for those with a standing order for the print version, providing free access to current electronic
