Modern Charge-Density Analysis

Modern Charge-Density Analysis

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Modern Charge-Density Analysis focuses on state-of-the-art methods and applications of electron-density analysis. It is a field traditionally associated with understanding chemical bonding and the electrostatic properties of matter. Recently, it has also been related to predictions of properties and responses of materials (having an organic, inorganic or hybrid nature as in modern materials and bio-science, and used for functional devices or biomaterials). Modern Charge-Density Analysis is inherently multidisciplinary and written for chemists, physicists, crystallographers, material scientists, and biochemists alike. It serves as a useful tool for scientists already working in the field by providing them with a unified view of the multifaceted charge-density world. Additionally, this volume facilitates the understanding of scientists and PhD students planning to enter the field by acquainting them with the most significant and promising developments in this arena.... 663, 667, 668, 672, 697, 720 Prior reference density, 9 Probability marginal, 191 overall, 192 Probability density function (p.d.f.), 138, ... Pro-molecule, 23, 24, 53, 200, 223, 455, 472, 558, 568 Promolecule approximation, 222, 397a€“399, 404 Properties from Bragg data, ... 726, 747a€“749 Quantitative structure property relationships (QSPR), 726, 747a€“749 Quantum chemical topology (QCT), 3, 505a€“ 522anbsp;...

Title:Modern Charge-Density Analysis
Author:Carlo Gatti, Piero Macchi
Publisher:Springer Science & Business Media - 2012-01-09


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