Applications of density functional theory to chemical reactivity - Putz, Mihai V.; Mingos, D. M. P., 1944-; Chatterjee, Abhijit (Heidelberg : Springer, 2012)
Density functional theory of Bose-Einstein condensation: road to chemical bonding quantum condensate / Mihai V. Putz -- Information theory Insights into molecular electronic structure and reactivity / Roman F. Nalewajski -- Applying conventional ab initio and density functional theory approaches to electric property calculations. Quantitative aspects and perspectives / George Maroulis -- Descriptors as probes for inter-molecular interactions and external perturbation / Sourav Pal -- Application of reactivity indices within density functional theory to rationale chemical interactions / Abhijit Chatterjee.
Includes bibliographical references and index.
Keywords: Density functionals; Reactivity (Chemistry); Chemical Phenomena; Models, Chemical; Molecular Structure; Quantum Theory; Density functionals; Reactivity (Chemistry)