Modern Density Functional Theory: A Tool For Chemistry


Book Description

Density Functional Theory (DFT) is currently receiving a great deal of attention as chemists come to realize its important role as a tool for chemistry. This book covers the theoretical principles of DFT, and details its application to several contemporary problems. All current techniques are covered, many are critically assessed, and some proposals for the future are reviewed. The book demonstrates that DFT is a practical solution to the problems standard ab initio methods have with chemical accuracy.The book is aimed at both the theoretical chemist and the experimentalist who want to relate their experiments to the governing theory. It will prove a useful and enduring reference work.




Handbook of Flotation Reagents: Chemistry, Theory and Practice


Book Description

Handbook of Flotation Reagents: Chemistry, Theory and Practice is a condensed form of the fundamental knowledge of chemical reagents commonly used in flotation and is addressed to the researchers and plant metallurgists who employ these reagents. Consisting of three distinct parts: 1) provides detailed description of the chemistry used in mineral processing industry; 2) describes theoretical aspects of the action of flotation reagents3) provides information on the use of reagents in over 100 operating plants treating Cu, Cu/Zn, Cu/Pb, Zn, Pb/Zn/Ag, Cu/Ni and Ni ores.* Looks at the theoretical aspects of flotation reagents* Examines the practical aspects of using chemical reagents in operating plants* Provides guidelines for researchers and engineers involved in process design and development










Catalogue of the Library of the Boston Athenaeum


Book Description

Reprint of the original, first published in 1874. The publishing house Anatiposi publishes historical books as reprints. Due to their age, these books may have missing pages or inferior quality. Our aim is to preserve these books and make them available to the public so that they do not get lost.







The Theories of Chemistry


Book Description

Theories of Chemistry reviews the theories that underpin chemistry, but yet are not traditionally recognized as such, being normally considered as part of physics. Based on the argument that the needs of chemistry are distinctive, a mathematical structure of topics such as quantum mechanics, relativity theory, thermodynamics and statistical mechanics, suiting the needs of chemistry, is outlined. The subject matter is arranged in a sequence that reveals the foundations of chemistry. Starting from the mathematical basis, the sequence runs through the general concepts (mechanics and wave formalism) and the elementary building blocks, to molecules and macrosystems. The book is the product of the author's reading of original literature rather than of standard texts. It differs from what is conventionally emphasized because of the different approach that it argues for the recognition of chemistry as an emergent discipline, ultimately based on the properties and structure of space and time. Hence the emphasis on otherwise unexpected topics such as quaternions, lie groups, polarized light, compressed atoms, rydberg atoms, solitons, molecular hydrogen, and phase transitions, amongst others. The topic is the understanding of chemistry from first principles. The book is self-contained and can be used without reference to other sources. - All chemisty theories are covered in this one volume. - The book is self-contained and can be used without reference to other sources. - Many topics, routinely referred to in advanced chemistry texts, without making them accessible to the non-specialist, are brought together.