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

By N. Sukumar

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

Electron density is among the primary options 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 appliance of the mathematical idea 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 inspiration within the Chemical, organic, and fabrics Sciences addresses the rules, research, and functions of this pivotal chemical proposal. the 1st a part of the booklet offers a coherent and logically hooked up remedy of the theoretical foundations of the electron density suggestion. dialogue contains using percentages 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 decision of electron density distributions.

The rest of the e-book offers with functions of the electron density idea within the chemical, organic, and fabrics sciences. members provide insights on how a deep figuring out of the origins of chemical reactivity should be gleaned from the ideas of density practical concept. additionally mentioned are the purposes 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 purposes of recent density sensible concept to surfaces and interfaces.

An crucial reference for college kids in addition to quantum and computational chemists, actual chemists, and physicists, this publication bargains an remarkable examine the improvement of the concept that of electron density from its inception to its position in density practical idea, which ended in the 1998 Nobel Prize in Chemistry.

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Extra resources for A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences

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Pauli W. Z Phys 1925;316:373–385. 88. Stoner EC. Philos Mag 1924;48:719–726. 89. Born M. Experiment and Theory in Physics. Cambridge: Cambridge University Press; 1943. 90. Born M. Z Phys 1926;38:803–827. 91. Venkataraman G. Journey Into Light: Life and Science of C. V. Raman. Bangalore: Indian Academy of Sciences; 1988. REFERENCES 39 92. Schilp PA, editor. Albert Einstein: Philosopher Scientist. Evanston (IL): Library of Living Philosophers; 1949. 93. Bell JS. Physics 1964;1:195–200. 94. Bell JS.

Sir C. V. Raman persuaded him to stay on in India as Professor of Mathematical Physics, but the appointment fell through owing to political problems at the institute [91]. Max Born was then appointed Tait Professor of Natural Philosophy at the University of Edinburgh, where he stayed from 1936 until his retirement in 1953. He was elected a Fellow of the Royal Society of London in 1939. Born returned to Germany on retirement from Edinburgh at the age of 65. ” Einstein’s argument against the statistical interpretation of quantum mechanics was that it does not provide a “complete description” of the motion of an individual particle.

Resuming his research in theoretical physics after the war, de Broglie tried to reconcile Einstein’s light quantum hypothesis with the phenomena of interference and diffraction, and suggested the need to associate the quanta with a periodicity [38]. He had always been impressed by the formal analogy between the principle of least action in mechanics and Fermat’s principle of least time in optics, on which Hamilton had published nearly a century ago. Louis also continued his interest in experimental physics, working with his brother at Maurice’s laboratory.

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