By N. Sukumar
The origins and importance of electron density within the chemical, organic, and fabrics sciences
Electron density is among the primary strategies underlying sleek 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, lately, 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 suggestion within the Chemical, organic, and fabrics Sciences addresses the principles, research, and purposes of this pivotal chemical notion. the 1st a part of the booklet offers a coherent and logically hooked up therapy 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 center of quantum concept, like quantum entanglement; and techniques for the experimental selection of electron density distributions.
The rest of the publication offers with purposes of the electron density thought within the chemical, organic, and fabrics sciences. participants provide insights on how a deep knowing of the origins of chemical reactivity will be gleaned from the thoughts of density practical idea. additionally mentioned are the functions of electron density in molecular similarity research and electron density-derived molecular descriptors, similar to electrostatic potentials and native ionization energies. This part concludes with a few functions of contemporary density useful concept to surfaces and interfaces.
An crucial reference for college students in addition to quantum and computational chemists, actual chemists, and physicists, this e-book deals an exceptional examine the improvement of the idea that of electron density from its inception to its position in density useful conception, which ended in the 1998 Nobel Prize in Chemistry.
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Extra info for A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences
A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences by N. Sukumar