By N. Sukumar
The origins and importance of electron density within the chemical, organic, and fabrics sciences
Electron density is among the primary 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 appliance 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 proposal within the Chemical, organic, and fabrics Sciences addresses the principles, research, and functions of this pivotal chemical idea. the 1st a part of the booklet provides a coherent and logically attached remedy of the theoretical foundations of the electron density proposal. dialogue contains using percentages in statistical physics; the origins of quantum mechanics; the philosophical questions on the middle of quantum idea, like quantum entanglement; and techniques for the experimental choice of electron density distributions.
The rest of the ebook offers with functions 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 recommendations of density useful conception. additionally mentioned are the functions of electron density in molecular similarity research and electron density-derived molecular descriptors, resembling 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 booklet bargains an unheard of examine the advance of the idea that of electron density from its inception to its function in density sensible idea, which resulted in the 1998 Nobel Prize in Chemistry.
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