Physical Theoretical Chemistry

Read e-book online A Matter of Density: Exploring the Electron Density Concept PDF

By N. Sukumar

ISBN-10: 0470769009

ISBN-13: 9780470769003

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

Electron density is among the primary recommendations underlying sleek chemistry and one of many key determinants of molecular constitution and balance. it's also the elemental variable of density sensible conception, which has made attainable, in recent times, the applying 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 idea within the Chemical, organic, and fabrics Sciences addresses the principles, research, and functions of this pivotal chemical inspiration. 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 comprises using chances in statistical physics; the origins of quantum mechanics; the philosophical questions on the middle of quantum thought, like quantum entanglement; and techniques for the experimental decision of electron density distributions.

The rest of the ebook offers with functions of the electron density thought within the chemical, organic, and fabrics sciences. members provide insights on how a deep knowing of the origins of chemical reactivity will be gleaned from the suggestions 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 contemporary density useful thought to surfaces and interfaces.

An crucial reference for college students in addition to quantum and computational chemists, actual chemists, and physicists, this ebook deals an unprecedented examine the advance of the concept that of electron density from its inception to its function in density practical concept, which resulted in the 1998 Nobel Prize in Chemistry.

Show description

Read Online or Download A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences PDF

Best physical & theoretical chemistry books

Get Risk Assessment of Chemicals: An Introduction PDF

The danger administration of chemical substances represents a global problem. It occupied a admired position on time table 21 of the UN convention on surroundings and improvement (UNCED), held in Rio de Janeiro in 1992. the improvement and harmonization of hazard overview equipment are an important prerequisite to profitable danger administration.

New PDF release: Textbook of Physical Chemistry

This finished textbook covers the critical components of actual chemistry, similar to thermodynamics, quantum chemistry, molecular spectroscopy, chemical kinetics, electrochemistry and nanotechnology. In a methodical and obtainable variety, the ebook discusses classical, irreversible and statistical thermodynamics and statistical mechanics, and describes macroscopic chemical structures, regular states and thermodynamics at a molecular point.

Get Theoretical Chemistry Advances and Perspectives V3 PDF

Theoretical Chemistry: Advances and views, quantity three compiles stories that evaluation all elements of theoretical chemistry. This e-book starts off by means of discussing the advancements that have made the ab initio research of molecular ions possible, by means of a remedy on classical equilibrium thermodynamics.

Arnold Reisman,Ernest M. Loebl's Phase Equilibria: Basic Principles, Applications, PDF

Section Equilibria: simple ideas, functions, Experimental strategies provides an analytical therapy within the research of the theories and rules of section equilibria. The ebook is geared up to manage to pay for a deep and thorough realizing of such topics because the approach to species version structures; condensed phase-vapor section equilibria and vapor delivery reactions; area refining recommendations; and nonstoichiometry.

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

Sample text

Download PDF sample

A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences by N. Sukumar

by Paul

Rated 4.63 of 5 – based on 43 votes