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 primary innovations underlying smooth chemistry and one of many key determinants of molecular constitution and balance. it's also the fundamental variable of density useful idea, 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 subject of Density: Exploring the Electron Density idea within the Chemical, organic, and fabrics Sciences addresses the rules, research, and purposes of this pivotal chemical proposal. the 1st a part of the ebook 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 idea, like quantum entanglement; and techniques for the experimental decision of electron density distributions.
The rest of the booklet offers with functions of the electron density suggestion within the chemical, organic, and fabrics sciences. members provide insights on how a deep realizing of the origins of chemical reactivity could be gleaned from the suggestions of density useful thought. additionally mentioned are the purposes 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 purposes of contemporary density sensible conception to surfaces and interfaces.
An crucial reference for college students in addition to quantum and computational chemists, actual chemists, and physicists, this booklet deals an extraordinary examine the advance of the idea that of electron density from its inception to its function in density practical thought, which ended in the 1998 Nobel Prize in Chemistry.
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