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

By N. Sukumar

ISBN-10: 0470769009

ISBN-13: 9780470769003

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

Electron density is among the primary strategies underlying smooth chemistry and one of many key determinants of molecular constitution and balance. it's also the fundamental variable of density practical 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 idea within the Chemical, organic, and fabrics Sciences addresses the principles, research, and purposes of this pivotal chemical idea. the 1st a part of the publication provides a coherent and logically attached therapy of the theoretical foundations of the electron density notion. dialogue comprises using possibilities in statistical physics; the origins of quantum mechanics; the philosophical questions on the middle of quantum conception, like quantum entanglement; and techniques for the experimental choice of electron density distributions.

The rest of the publication bargains with functions of the electron density inspiration within the chemical, organic, and fabrics sciences. members supply insights on how a deep figuring out of the origins of chemical reactivity may be gleaned from the recommendations of density sensible thought. 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 purposes of contemporary density sensible thought to surfaces and interfaces.

An crucial reference for college kids in addition to quantum and computational chemists, actual chemists, and physicists, this publication bargains an extraordinary examine the improvement of the concept that of electron density from its inception to its function in density useful idea, which resulted in the 1998 Nobel Prize in Chemistry.

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A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences by N. Sukumar

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