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Oxygen in Catalysis
A description of catalytic systems commonly used as model systems in the laboratory and as industrial catalysts in large-scale operations, and a discussion of the mechanisms operating in these reactions. Attempts to describe the elementary steps by quantum chemical methods are also shown, as are rec
Polish Quantum Chemistry from Kolos to Now
Polish Quantum Chemistry from Kolos to Now, Volume 87 provides a survey of contributions coauthored by Polish scientists working in Poland, and in European and American Universities. Sections in this release include Review: From the Kolos-Wolniewicz calculations to the quantum-electrodynamic treatment of the hydrogen molecule: competition between theory and experiment, Review: How to make symmetry-adapted perturbation theory more accurate, Review: Advanced models of coupled cluster theory for the ground, excited and ionized states, Can orbital basis sets compete with explicitly correlated ones for few-electron systems?, Converging high-level equation-of-motion coupled-cluster energetics with...
Catalytic Activation and Functionalisation of Light Alkanes
Light alkanes tend to be resistant to many forms of activation. The horizontal approach of the present book covers homogeneous, heterogeneous and biological catalysis, thus allowing readers to gain an awareness of progress and ideas in research areas different from their own. The book contains both general chapters, giving an overview of the subject, and specialised contributions that deal with the details and state of the art. A specialist report is also included which gives a critical insight into current progress and discusses future prospects and major challenges. Audience: Newcomers and senior researchers in the field of alkane activation. The mixed theoretical and practical approach will be of interest to researchers and industrialists alike.
Turning Points in Solid-state, Materials and Surface State
The scientific exploration of solid materials represents one of the most important, fascinating and rewarding areas of scientific endeavour in the present day, not only from the viewpoint of advancing fundamental understanding but also from the industrial perspective, given the immense diversity of applications of solid materials across the full range of commercial sectors. Turning Points in Solid-State, Materials and Surface Science provides a state-of-the-art survey of some of the most important recent developments across the spectrum of solid-state, materials and surface sciences, while at the same time reflecting on key turning points in the evolution of this scientific discipline and pr...
Catalysis of Organic Reactions
This work presents a compilation of technical papers and poster synopses delivered at the 14th Conference on Catalysis of Organic Reactions. The book investigates current developments in the study of catalysis as it relates to organic synthesis, detailing industrial applications. It suggests cost-effective routes for the synthesis of valuable industrial and pharmaceutical chemicals.
The Selected Papers of Sir John Meurig Thomas
John Meurig Thomas is a former Director of the Royal Institution of Great Britain, a former head of the Department of Physical Chemistry and former Master of Peterhouse, University of Cambridge. A world-renowned solid-state, materials and surface chemist, he has been an educator, researcher, academic administrator, author of university texts, government advisor, industrial consultant and trustee of national museums in a career spanning over 50 years. Recipient of many international awards, including the Linus Pauling, Willard–Gibbs, Kapitza, Natta, Stokes, Davy and Faraday medals, he is also a fellow of the Royal Society (1977), of the American Philosophical Society (1993) and of ten other...
Transition Metals in Coordination Environments
This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.
