Physical Theoretical Chemistry

A Matter of Density: Exploring the Electron Density Concept by N. Sukumar

By N. Sukumar

The origins and value of electron density within the chemical, organic, and fabrics sciences

Electron density is among the basic thoughts underlying sleek chemistry and one of many key determinants of molecular constitution and balance. it's also the fundamental variable of density practical concept, which has made attainable, in recent times, 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 proposal within the Chemical, organic, and fabrics Sciences addresses the principles, research, and functions of this pivotal chemical proposal. the 1st a part of the e-book provides a coherent and logically hooked up therapy 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 strategies for the experimental choice of electron density distributions.

The rest of the publication offers with purposes of the electron density inspiration within the chemical, organic, and fabrics sciences. members provide insights on how a deep figuring out of the origins of chemical reactivity could be gleaned from the strategies of density sensible thought. additionally mentioned are the functions of electron density in molecular similarity research and electron density-derived molecular descriptors, akin to electrostatic potentials and native ionization energies. This part concludes with a few functions of contemporary density sensible conception to surfaces and interfaces.

An crucial reference for college kids in addition to quantum and computational chemists, actual chemists, and physicists, this e-book bargains an extraordinary examine the advance of the idea that of electron density from its inception to its function in density sensible concept, which ended in the 1998 Nobel Prize in Chemistry.

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