By N. Sukumar
The origins and value of electron density within the chemical, organic, and fabrics sciences
Electron density is without doubt one of 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 sensible concept, which has made attainable, in recent times, 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 inspiration within the Chemical, organic, and fabrics Sciences addresses the principles, research, and purposes of this pivotal chemical inspiration. the 1st a part of the publication provides a coherent and logically hooked up remedy of the theoretical foundations of the electron density suggestion. dialogue comprises using possibilities 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 publication bargains with purposes of the electron density inspiration within the chemical, organic, and fabrics sciences. individuals supply insights on how a deep realizing of the origins of chemical reactivity will be gleaned from the suggestions of density sensible 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 functions of contemporary density practical idea to surfaces and interfaces.
An crucial reference for college kids in addition to quantum and computational chemists, actual chemists, and physicists, this publication deals an exceptional examine the advance of the concept that of electron density from its inception to its function in density sensible concept, 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