Computational Chemistry of Solid State Materials

This book PDF is perfect for those who love Science genre, written by Richard Dronskowski and published by John Wiley & Sons which was released on 08 January 2008 with total hardcover pages 300. You could read this book directly on your devices with pdf, epub and kindle format, check detail and related Computational Chemistry of Solid State Materials books below.

Computational Chemistry of Solid State Materials
Author : Richard Dronskowski
File Size : 47,6 Mb
Publisher : John Wiley & Sons
Language : English
Release Date : 08 January 2008
ISBN : 9783527612291
Pages : 300 pages
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Computational Chemistry of Solid State Materials by Richard Dronskowski Book PDF Summary

This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field from the last few years. Written especially for "non"-theoretical readers in a readily comprehensible and implemental style, it includes numerous practical examples of varying degrees of difficulty. Similarly, the use of mathematical equations is reduced to a minimum, focusing only on those important for experimentalists. Backed by many extensive tables containing detailed data for direct use in the calculations, this is the ideal companion for all those wishing to improve their work in solid state research.

Computational Chemistry of Solid State Materials

This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field from the last few years. Written especially for "non"-theoretical readers in a readily comprehensible and implemental style, it includes numerous practical examples of varying degrees of

Get Book
Computational Pharmaceutical Solid State Chemistry

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As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate,

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Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it does not allow for chemical conclusions unless the electronic structure is unitarily transformed into atomic orbitals. This primer for chemists and as well for physicists and engineers shows how

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A modern and thorough treatment of the field for upper-level undergraduate and graduate courses in materials science and chemistry.

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Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density

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Handbook of Solid State Chemistry  6 Volume Set

This most comprehensive and unrivaled compendium in the field provides an up-to-date account of the chemistry of solids, nanoparticles and hybrid materials. Following a valuable introductory chapter reviewing important synthesis techniques, the handbook presents a series of contributions by about 150 international leading experts -- the "Who's Who" of solid state

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