By N. Sukumar
The origins and importance of electron density within the chemical, organic, and fabrics sciences
Electron density is among the primary thoughts underlying glossy chemistry and one of many key determinants of molecular constitution and balance. it's also the fundamental variable of density useful idea, which has made attainable, lately, the appliance of the mathematical thought of quantum physics to chemical and organic systems.
With an equivalent emphasis on computational and philosophical questions, A topic of Density: Exploring the Electron Density suggestion within the Chemical, organic, and fabrics Sciences addresses the principles, research, and functions of this pivotal chemical suggestion. the 1st a part of the publication provides a coherent and logically attached remedy of the theoretical foundations of the electron density inspiration. dialogue comprises using possibilities in statistical physics; the origins of quantum mechanics; the philosophical questions on the center of quantum concept, like quantum entanglement; and strategies for the experimental choice of electron density distributions.
The rest of the ebook bargains with purposes of the electron density thought within the chemical, organic, and fabrics sciences. members supply insights on how a deep knowing of the origins of chemical reactivity may be gleaned from the suggestions of density useful conception. additionally mentioned are the purposes of electron density in molecular similarity research and electron density-derived molecular descriptors, comparable to electrostatic potentials and native ionization energies. This part concludes with a few purposes of recent density useful idea to surfaces and interfaces.
An crucial reference for college kids in addition to quantum and computational chemists, actual chemists, and physicists, this ebook bargains an extraordinary examine the improvement of the idea that of electron density from its inception to its position in density sensible concept, which ended in the 1998 Nobel Prize in Chemistry.
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Extra resources for A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences
A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences by N. Sukumar