Titlebook: Electron Localization-Delocalization Matrices ; Chérif F. Matta,Paul W. Ayers,Ronald Cook Book 2024 Springer Nature Switzerland AG 2024 At

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Gibbon and the History of HeresyThis monograph presents a new approach to quantum chemically based quantitative structure-to-activity/property (QSAR/QSPR) relationships. The key for good model construction is to have good experimental (activity or property) data for as many compounds as possible.

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An Introduction to Electron Localization-Delocalization Matrices,This book has been written with the practicing chemist in sight. It is not a book on theoretical chemistry but rather one that is primarily focused on making practical predictions starting from theoretical chemistry calculations.

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Localization-Delocalization Matrix Representation of Molecules,A network is a set of objects connected in a pairwise fashion. Frequently, the word . and . are used interchangeably, even though some authors stress that the network is a set of . connected objects, while the objects connected in a graph are identical. In this monograph, the two terms are used interchangeably.

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Molecular Fingerprinting using Localization-Delocalization Matrices: Computational Aspects,Ismat Sumar of Saint Mary’s University, one of whom this book is dedicated, pioneered the first software implementation of an algorithm to automate the localization-delocalization matrices (LDMs) analysis of a series of molecules.

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Localization-Delocalization Matrices of Large Systems,In previous chapters, we have demonstrated the extraction of chemical information from molecular structures . the use of Bader’s Quantum Theory of Atoms in Molecules (QTAIM) followed by the analysis of the electron localization-delocalization matrices by such methods as Principal Component Analysis (PCA) to predict useful properties.

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Making Disciples of All Nations,tom, a molecule, an ion, a crystal, all have in common that they interact with their surroundings through their electron density distributions. All chemistry is a reflection of an underlying electronic charge interaction, transfer, loss, gain,

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https://doi.org/10.1007/978-3-030-86830-7ors including mosquitoes. At the same time, mosquitoes are human’s worst enemy. They transmit the protozoan parasite that causes malaria and several viruses that cause dangerous infections such as dengue, yellow fever, West Nile, Chikungunya, encephalitis, and Zika.