Kategoria BISAC: Science >> Chemistry - Physical & Theoretical

The current volume in the series, Vibrational Spectra and Structure, is a single topic volume on gas phase structural parameters. The title of the volume, Equilibrium Structural Parameters, covers the two most common techniques for obtaining gas phase structural parameters: microwave spectroscopy and the electron diffraction technique. Since the quantum chemical method provides equilibrium geometries, the volume is an attempt to provide a connection between the experimental and theoretical parameters. The book provides a review on molecular structure determinations from...

"Spillover and Mobility of Species and Solid Surfaces" collects the papers which were presented at the Fifth International Conference Spillover, either as oral or poster contributions, as well as the summaries of the invited lectures. This congress and its publication in the Studies on Surface Science and Catalysis series follow the tradition of previous conferences on spillover, initiated in Lyon, 1983, and continued in Leipzig, 1989, Kyoto 1993 and Dalian, 1997. For the fifth conference, held in S.L. el Escorial (Madrid), the organising committee has attempted to compile...

This volume includes papers presented at the second International Workshop on Oxide-based Systems at the Crossroads of Chemistry, held at Villa Olmo in Como, Italy, 8-11 October.

The selected papers present the highlights of recent research in the field of oxide structure. A wide range of oxidic materials, including real oxides, zeolites and layer-structured systems, is considered and described in terms of preparation methods, structural characterization and the relation between active sites, structure and catalytic properties. The application of the most powerful simulation and...

Ultrasound in Environmental Protection focuses on one of the more significant developments in the subject - environmental remediation - providing an overview on both the fundamentals and applications of ultrasound in environmental protection, incorporating recent research and state-of-the-art information on the scientific basis, modes of use, and engineering developments.

A broad spectrum of topics are covered: reactor design, sonochemical pollutant degradation, integrated unltrasonic/ biological treatment, ultrasound in disinfection, leaching by ultrasound, and...

Comprehensive manual embracing essentially all the classical and modern areas of chemical kinetics. Provides details of modern applications in chemistry, technology and biochemistry.

Special sections of the book treat subjects not covered sufficiently in other manuals, including: modern methods of experimental determination of rate constants of reactions including laser pico- and femtochemistry, magnetochemistry, and ESR; and descriptions of advanced theories of elementary chemical processes.

- Comprehensive manual covering practically all areas of chemical kinetics, both classical...

Description
Surface Alloys and Alloy Surfaces is concerned with the structural, compositional, electronic and chemical properties of the surfaces of solids in which the surface layers, at least are alloyed. Two different categories of system are covered - the surfaces of bulk alloys (alloy surfaces) and surface phases in which one or more outermost atomic layers are alloyed, while the underlying bulk involves no such intermixing (surface alloys).

Importance of Topic
The surfaces of bulk alloys have long been known to be of practical interest for their chemical properties. It has...

The first volume of this two part series is concerned with the fundamental aspects of relativistic quantum theory, outlining the enormous progress made in the last twenty years in this field. The aim was to create a book such that researchers who become interested in this exciting new field find it useful as a textbook, and do not have to rely on a rather large number of specialized papers published in this area.

-No title is currently available that deals with new developments in relativistic quantum electronic structure theory
-Interesting and relevant to graduate students in...

This title presents the state-of-the-art in molecular engineering and new developments in the fields of materials science, membrane biophysics, interfaces, sensing, and intermolecular interactions including molecular recognition.

Topics covered are: the organization (orientation and association) of molecules in ultrathin films (monolayers) at the air/water interface; long range order in these films and in assemblies of such films on solid substrates; the interactions with solutes in the aqueous phase (including tensides, enzymes and analytes); and the potential applications of ultrathin...

The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks. This is due to the fact that only in the last two decades have we learned about the importance of relativistic effects in the chemistry of heavy and superheavy elements. Developments in computer hardware together with sophisticated computer algorithms make it now possible to perform four-component relativistic calculations for larger molecules. Two-component and scalar all-electron relativistic schemes are also...

Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs, and chemicals. This volume on Computational Material Sciences covers selected examples of notable applications of computational techniques to material science. The chapters contained...

This book is a guide to kinetic studies of reaction mechanisms. It reviews conventional reactor types and data collection methods, and introduces a new methodology for data collection using Temperature Scanning Reactors (TSR). It provides a theoretical and practical approach to temperature scanning (TS) methodology and supports a revival of kinetic studies as a useful approach to the fundamental understanding of chemical reaction mechanisms and the consequential reaction kinetics.

-Describes a new patented technology
-Of interest to industrial and academic researchers in the fields of...

Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit.

It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having...

Supercritical fluids behave either like a gas or a liquid, depending on the values of thermodynamic properties. This tuning of properties, and other advantageous properties of supercritical fluids led to innovative technologies. More than 100 plants of production size are now in operation worldwide in the areas of process and production technology, environmental applications, and particle engineering. New processes are under research and development in various fields.

This book provides an overview of the research activities in the field of Supercritical Fluids in Germany. It is based...

This book addresses primarily the engineer in industrial process development, the research chemist in academia and industry, and the graduate student intending to become a reaction engineer. In industry, competitive pressures put a premium on scale-up by large factors to cut development time. To be safe, such development should be based on "fundamental" kinetics that reflect the elementary steps of which the reaction consists. The book forges fundamental kinetics into a practical tool by presenting new, effective methods for elucidation of mechanisms and reduction of complexity without...

This book reflects the heights of knowledge of ultrafast chemical processes attained in these early years of the 21st century: the latest research in femtosecond and picosecond molecular processes in Chemistry and Biology, carried out around the world, is described here in more than 110 articles. The results were presented and discussed at the VIth International Conference on Femtochemistry, in Paris, France, from July 6 to July 10, 2003. The articles published here were reviewed by referees selected from specialists in the Femtochemistry community, guaranteeing a collective responsability...

Batteries for Portable Devices provides a comprehensive overview of all batteries used in portable electric and electronic, as well as medical devices. These range from the cellular phone to portable CD and cardiac pacemakers to remote micro-sensors. The author looks at the behaviour of batteries in the conditions encountered in the above applications. Information on the performance of the most recent commercial batteries are graphically illustrated and comparisons are made. This easy-to-read book also contains useful information on topics rarely discussed in the field, such as battery...

As a byproduct of historical development, there are different, unrelated systems of nomenclature for "inorganic chemistry," "organic chemistry," "polymer chemistry," "natural products chemistry," etc. With each new discovery in the laboratory, as well as each new theoretical proposal for a chemical, the lines that traditionally have separated these "distinct" subsets of matter continually grow more blurred. This lack of uniformity in characterizing and naming chemicals increases the communication difficulties between differently trained chemists, as well as other scientists, and greatly...

Chemistry at Extreme Conditions covers those chemical processes that occur in the pressure regime of 0.5-200 GPa and temperature range of 500-5000 K and includes such varied phenomena as comet collisions, synthesis of super-hard materials, detonation and combustion of energetic materials, and organic conversions in the interior of planets. The book provides an insight into this active and exciting field of research. Written by top researchers in the field, the book covers state of the art experimental advances in high-pressure technology, from shock physics to laser-heating techniques...

Nanotechnology is no longer a merely social talking point and is beginning to affect the lives of everyone. Carbon nanotechnology as a major shaper of new nanotechnologies has evolved into a truly interdisciplinary field, which encompasses chemistry, physics, biology, medicine, materials science and engineering. This is a field in which a huge amount of literature has been generated within recent years, and the number of publications is still increasing every year. Carbon Nanotechnology aims to provide a timely coverage of the recent development in the field with updated reviews and remarks...

Many new developments, related to the interpretation and importance of symmetry relationships, quantum mechanics, general relativity, field theory and mathematics have occurred in the second half of the 20th century without having a visible impact on chemical thinking. By re-examining basic theories, The New Theories for Chemistry aims to introduce a new understanding of old concepts, such as electron spin, The Periodic Table and electronegativity. The book focuses on the new mathematical concepts that enable the exploration of interactions between particles, waves and fields within a...