By N. Sukumar
The origins and importance of electron density within the chemical, organic, and fabrics sciences
Electron density is among the basic ideas 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 idea 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 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 ebook 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 middle of quantum conception, like quantum entanglement; and techniques for the experimental choice of electron density distributions.
The rest of the e-book offers with purposes of the electron density proposal within the chemical, organic, and fabrics sciences. individuals provide insights on how a deep realizing of the origins of chemical reactivity may be gleaned from the strategies of density sensible idea. additionally mentioned are the functions of electron density in molecular similarity research and electron density-derived molecular descriptors, reminiscent of electrostatic potentials and native ionization energies. This part concludes with a few functions of recent density sensible thought to surfaces and interfaces.
An crucial reference for college students in addition to quantum and computational chemists, actual chemists, and physicists, this ebook bargains an unprecedented examine the improvement of the concept 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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A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences by N. Sukumar