A Matter of Density: Exploring the Electron Density Concept by N. Sukumar

By N. Sukumar

The origins and value of electron density within the chemical, organic, and fabrics sciences

Electron density is among the basic innovations underlying smooth chemistry and one of many key determinants of molecular constitution and balance. it's also the fundamental variable of density useful conception, which has made attainable, in recent times, the applying of the mathematical conception of quantum physics to chemical and organic systems.

With an equivalent emphasis on computational and philosophical questions, A subject of Density: Exploring the Electron Density notion within the Chemical, organic, and fabrics Sciences addresses the rules, research, and purposes of this pivotal chemical idea. the 1st a part of the ebook provides a coherent and logically attached therapy of the theoretical foundations of the electron density inspiration. dialogue contains using chances in statistical physics; the origins of quantum mechanics; the philosophical questions on the center of quantum conception, like quantum entanglement; and strategies for the experimental decision of electron density distributions.

The rest of the e-book bargains with functions of the electron density inspiration within the chemical, organic, and fabrics sciences. members provide insights on how a deep knowing of the origins of chemical reactivity may be gleaned from the recommendations of density useful idea. additionally mentioned are the purposes of electron density in molecular similarity research and electron density-derived molecular descriptors, equivalent to electrostatic potentials and native ionization energies. This part concludes with a few functions of recent density useful concept to surfaces and interfaces.

An crucial reference for college students in addition to quantum and computational chemists, actual chemists, and physicists, this e-book bargains an unheard of examine the advance of the idea that of electron density from its inception to its position in density useful concept, which resulted in the 1998 Nobel Prize in Chemistry.

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