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Chemical Bonding
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 to simply extract the chemistry and, hence, truly understand a plethora of real-world materials The goal of this humorous primer entertaining to read is to truly serve but not repel the reader. Recent in-person and also virtual summer schools in Europe and Asia have demonstrated the need for such a primer, also to be used for self-training
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 science. Clearly structured, in six volumes it collates the knowledge available on solid state chemistry, starting from the synthesis, and modern methods of structure determination. Understanding and measuring the physical properties of bulk solids and the theoretical basis of modern computational treatments of solids are given ample space, as are such modern trends as nanoparticles, surface properties and heterogeneous catalysis. Emphasis is placed throughout not only on the design and structure of solids but also on practical applications of these novel materials in real chemical situations.
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 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.
Advances in Solid State Physics
The 2002 Spring Meeting of the "Deutsche Physikalische Gesellschaft" was held in Regensburg from March 25th to 29th, 2002. The number of conference attendees has remained remarkably stable at about 2800, despite the decreas ing number of German PhD students. This can be taken as an indication that the program of the meeting was very attractive. The present volume of the "Advances in Solid State Physics" contains the written versions of most of the invited talks, also those presented as part of the Symposia. Most of these Symposia were organized by several divisions in collaboration and they covered fascinating selection of topics of current interest. I trust that the book reflects this year's status of the field in Germany. In particular, one notes a slight change in paradigms: from quantum dots and wires to spin transport and soft matter systems in the broadest sense. This seems to reflect the present general trend in physics. Nevertheless, a large portion of the invited papers as well as the discussions at the meeting concentrated on nanostrnctured matter.
First-Principles Approaches to Metals, Alloys, and Metallic Compounds
(This book is a printed edition of the Special Issue "First-Principles Approaches to Metals, Alloys, and Metallic Compounds" that was published in Metals
High Performance Computing in Science and Engineering ' 08
The discussions and plans on all scienti?c, advisory, and political levels to realize an even larger “European Supercomputer” in Germany, where the hardware costs alone will be hundreds of millions Euro – much more than in the past – are getting closer to realization. As part of the strategy, the three national supercomputing centres HLRS (Stuttgart), NIC/JSC (Julic ̈ h) and LRZ (Munich) have formed the Gauss Centre for Supercomputing (GCS) as a new virtual organization enabled by an agreement between the Federal Ministry of Education and Research (BMBF) and the state ministries for research of Baden-Wurttem ̈ berg, Bayern, and Nordrhein-Westfalen. Already today, the GCS provides t...
Politically Incorrect Guide to Climate Change
*Updated to include new section on the Green New Deal!* "The climate scare ends with this book." —SEAN HANNITY "This book arms every citizen with a comprehensive dossier on just how science, economics, and politics have been distorted and corrupted in the name of saving the planet." —MARK LEVIN Less freedom. More regulation. Higher costs. Make no mistake: those are the surefire consequences of the modern global warming campaign waged by political and cultural elites, who have long ago abandoned fact-based science for dramatic fearmongering in order to push increased central planning. The Politically Incorrect Guide to Climate Change gives a voice -- backed by statistics, real-life stories, and incontrovertible evidence -- to the millions of "deplorable" Americans skeptical about the multibillion dollar "climate change" complex, whose claims have time and time again been proven wrong.
Computational Science and Its Applications – ICCSA 2019
The six volumes LNCS 11619-11624 constitute the refereed proceedings of the 19th International Conference on Computational Science and Its Applications, ICCSA 2019, held in Saint Petersburg, Russia, in July 2019. The 64 full papers, 10 short papers and 259 workshop papers presented were carefully reviewed and selected form numerous submissions. The 64 full papers are organized in the following five general tracks: computational methods, algorithms and scientific applications; high performance computing and networks; geometric modeling, graphics and visualization; advanced and emerging applications; and information systems and technologies. The 259 workshop papers were presented at 33 workshops in various areas of computational sciences, ranging from computational science technologies to specific areas of computational sciences, such as software engineering, security, artificial intelligence and blockchain technologies.
Compounds with Polar Metallic Bonding
The Special Edition 'Compounds with Polar Metallic Bonding' is a collection of eight original research reports presenting a broad variety of chemical systems, analytical methods, preparative pathways and theoretical descriptions of bonding situations, with the common aim of understanding the complex interplay of conduction electrons in intermetallic compounds that possess different types of dipoles. Coulombic dipoles introduced by electronegativity differences, electric or magnetic dipoles, polarity induced by symmetry reduction—all the possible facets of the term 'polarity'—can be observed in polar intermetallic phases and have their own and, in most cases, unique consequences on the physical and chemical behaviour. Elucidation of the structure–property relationships in compounds with polar metallic bonding is a modern and growing scientific field which combines solid state physics, preparative chemistry, metallurgy, modern analytic methods, crystallography, theoretical calculations of the electronic state and many more disciplines.
