By N. Sukumar
The origins and importance of electron density within the chemical, organic, and fabrics sciences
Electron density is among the basic ideas underlying smooth chemistry and one of many key determinants of molecular constitution and balance. it's also the fundamental variable of density useful concept, which has made attainable, in recent times, the applying of the mathematical concept 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 thought within the Chemical, organic, and fabrics Sciences addresses the principles, research, and functions of this pivotal chemical suggestion. 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 contains using possibilities in statistical physics; the origins of quantum mechanics; the philosophical questions on the middle of quantum concept, like quantum entanglement; and techniques for the experimental choice of electron density distributions.
The rest of the ebook 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 will be gleaned from the recommendations 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 recent density practical concept 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 remarkable examine the improvement of the idea that of electron density from its inception to its position in density useful thought, which resulted in the 1998 Nobel Prize in Chemistry.
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Additional resources for A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences
Physical quantities can be regarded as simultaneous elements of reality only when they can be simultaneously measured or predicted. Bohr  responded to Einstein, Podolsky, and Rosen’s argument by forbidding us to speak of properties of individual particles, even when they are distant from each other. Bohr emphasized the importance of a careful description of the details of the measuring apparatus, and “the impossibility of any sharp distinction between the behavior of atomic objects and the interaction with the measuring instruments which serve to deﬁne the conditions under which the phenomena appear” .
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