By Swapan Kumar Ghosh,Pratim Kumar Chattaraj
Concepts and strategies in sleek Theoretical Chemistry: digital constitution and Reactivity, the 1st e-book in a two-volume set, makes a speciality of the constitution and reactivity of platforms and phenomena. a brand new addition to the sequence Atoms, Molecules, and Clusters, this ebook deals chapters written by way of specialists of their fields. It allows readers to benefit how recommendations from ab initio quantum chemistry and density sensible concept (DFT) can be utilized to explain, comprehend, and expect digital constitution and chemical reactivity.
This booklet covers quite a lot of topics, together with discussions at the following topics:
- DFT, really the useful and conceptual aspects
- Excited states, molecular electrostatic potentials, and intermolecular interactions
- General theoretical facets and alertness to molecules
- Clusters and solids, digital tension, and electron affinity difference
- The details thought and the virial theorem
- New periodic tables
- The function of the ionization potential
Although lots of the chapters are written at a degree that's obtainable to a senior graduate pupil, skilled researchers also will locate fascinating new insights in those specialists’ views. This entire e-book presents a useful source towards knowing the full gamut of atoms, molecules, and clusters.
Read Online or Download Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity: Volume 1 (Atoms, Molecules, and Clusters) PDF
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Additional resources for Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity: Volume 1 (Atoms, Molecules, and Clusters)
Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity: Volume 1 (Atoms, Molecules, and Clusters) by Swapan Kumar Ghosh,Pratim Kumar Chattaraj