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 recommendations underlying sleek chemistry and one of many key determinants of molecular constitution and balance. it's also the elemental variable of density sensible 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 functions of this pivotal chemical inspiration. the 1st a part of the ebook offers a coherent and logically hooked up therapy of the theoretical foundations of the electron density thought. dialogue comprises using chances in statistical physics; the origins of quantum mechanics; the philosophical questions on the middle of quantum thought, like quantum entanglement; and techniques for the experimental decision of electron density distributions.
The rest of the ebook offers with functions of the electron density thought within the chemical, organic, and fabrics sciences. members provide insights on how a deep knowing of the origins of chemical reactivity will 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, corresponding to electrostatic potentials and native ionization energies. This part concludes with a few functions of contemporary density useful thought to surfaces and interfaces.
An crucial reference for college students in addition to quantum and computational chemists, actual chemists, and physicists, this ebook deals an unprecedented examine the advance of the concept that of electron density from its inception to its function in density practical 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
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