Applications of density functional theory to chemical reactivity

Více o knize

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