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Books > Science & Mathematics > Chemistry > Physical chemistry

The Chemical Equilibrium of Gaseous Systems (Hardcover, 1976 ed.): R. Holub, P. Vonka The Chemical Equilibrium of Gaseous Systems (Hardcover, 1976 ed.)
R. Holub, P. Vonka
R2,949 Discovery Miles 29 490 Ships in 10 - 15 working days

It is the purpose of this book to present a concise and sufficiently detailed de scription of the present state and possibilities of calculating chemical equilibria of gas mixtures. It is based on a book by one of the authors, published in Czech by the Publishing House Academia in Prague. The rapid development of the topic during the two years since publication of the Czech edition has made it necessary to revise practically all the sections in order to bring them up to the present level of know ledge. One reason for writing this book was the practical requirement of contemporary industry, where a rational utilization of equilibrium composition calculations may provide valuable information concerning processes under study in all stages of their implementation. A second reason was the need of a text-book for studying this part of chemical thermodynamics in the scope as taught at the Institute of Chemical Technology, Prague. These two basic motives determine the overall structure of the book, as well as the proportions and arrangement of the chapters. The book includes fundamental thermodynamic concepts as well as the mathematical apparatus needed to solve the problems involved, care being taken that the discussion should always l ad to a practical procedure of performing equilibrium calculations in gas-phase systems of any degree of complexity whatever. Knowledge of chemical thermodynamics on the level of a fundamental university course is assumed."

High Performance Non-Oxide Ceramics II (Hardcover, 2002 ed.): R Haubner High Performance Non-Oxide Ceramics II (Hardcover, 2002 ed.)
R Haubner; Edited by M. Jansen; Contributions by M Herrmann, B. Lux, G. Petzow, …
R5,531 Discovery Miles 55 310 Ships in 10 - 15 working days

The nitrides and carbides of boron and silicon are proving to be an excellent choice when selecting materials for the design of devices that are to be employed under particularly demanding environmental and thermal con- tions. The high degree of cross-linking, due to the preferred coordination numbers of the predominantly covalently bonded constituents equalling or exceeding three, lends these non-oxidic ceramics a high kinetic stability, and is regarded as the microscopic origin of their impressive thermal and mechanical durability. Thus it does not come as a surprise that the chemistry, the physical properties and the engineering of the corresponding binary, ternary, and even quaternary compounds have been the subject of intensive and sustained efforts in research and development. In the five reviews presented in the volumes 101 and 102 of "Structure and Bonding" an attempt has been made to cover both the essential and the most recent advances achieved in this particular field of materials research. The scope of the individual contributions is such as to address both graduate students, specializing in ceramic materials, and all scientists in academia or industry dealing with materials research and development. Each review provides, in its introductory part, the chemical, physical and, to some extent, historical background of the respective material, and then focuses on the most relevant and the most recent achievements.

Metallized Plastics 3 - Fundamental and Applied Aspects (Hardcover, 1992 ed.): K.L. Mittal Metallized Plastics 3 - Fundamental and Applied Aspects (Hardcover, 1992 ed.)
K.L. Mittal
R2,440 Discovery Miles 24 400 Ships in 12 - 17 working days

This volume chronicles the proceedings of the Third Symposium on Metallized Plastics: Fundamental and Applied Aspects held under the auspices of the Dielectric Science and Technology Division of the Electrochemical Society in Phoenix, Arizona, October 13-18, 1991. This series of symposia to address the subject of metallized plastics was initiated in 1988 and the premier symposium was held in Chicago, October 10-12, 1988, followed by the second event in Montreal, Canada, May 7-10, 1990. The rroceedings of these two symposia have been properly documented ,2. The third symposium was a huge success like the previous two events, and all this is testimonial to the brisk interest and high tempo of R&D activity in the fie14 of metallized plastics. This further bolsters our earlier thinking that there was a conspicuous need to hold symposia on this topic on a regular basis and the fourth is planned for May 16-21, 1993 in Honolulu, Hawaii. The study of metallized plastics constitutes an important human endeavor l and as pointed out earlier there are myriad applications of metallized plastics ranging from very commonplace to exotic. Also a survey of the recent literature will reveal that both the fundamental and applied aspects of metallized plastics are being pursued with great vigor.

Chalcogenide Materials for Energy Conversion - Pathways to Oxygen and Hydrogen Reactions (Hardcover, 1st ed. 2018): Nicolas... Chalcogenide Materials for Energy Conversion - Pathways to Oxygen and Hydrogen Reactions (Hardcover, 1st ed. 2018)
Nicolas Alonso-Vante
R4,496 Discovery Miles 44 960 Ships in 12 - 17 working days

This book addresses electrocatalysis based on chalcogenides, particularly in the nanoscale domain. Special attention is paid to the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR). The book provides an introduction to materials synthesis; the basic principles of electrocatalysis; related precious metal versus non-precious metal catalytic center chalcogenides as well as supports; and the role of such supports in stabilizing the catalytic centers. In short: pursuing a bottom-up approach, it covers the properties of this class of electrocatalysts and examines their applications in low-temperature fuel systems such as microfluidic fuel cells for portable devices. Accordingly, it is ideally suited for all professionals and researchers interested in electrochemistry, renewable energy and electrocatalysis, and non-precious metal centers for chemical energy conversion.

In situ NMR Methods in Catalysis (Hardcover, 2007 ed.): Joachim Bargon In situ NMR Methods in Catalysis (Hardcover, 2007 ed.)
Joachim Bargon; Contributions by J. Bargon; Edited by Lars T. Kuhn; Contributions by R. Giernoth, L. Greiner, …
R4,228 Discovery Miles 42 280 Ships in 10 - 15 working days

This will be a must-have work for scientists and practitioners in any field related to modern chemical research. It will also be highly useful for many workers in industry who are required to keep up-to-date with the latest news in chemistry and applied chemistry. So much is covered here in critical review, from the present position of developing research to future trends, that this book will still be an indispensable text ten years from now.

Computational Chemistry Methods - Applications (Hardcover): Ponnadurai Ramasami Computational Chemistry Methods - Applications (Hardcover)
Ponnadurai Ramasami
R4,467 Discovery Miles 44 670 Ships in 12 - 17 working days

This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.

Pollutants from Combustion - Formation and Impact on Atmospheric Chemistry (Hardcover, 2000 ed.): Christian Vovelle Pollutants from Combustion - Formation and Impact on Atmospheric Chemistry (Hardcover, 2000 ed.)
Christian Vovelle
R5,629 Discovery Miles 56 290 Ships in 10 - 15 working days

This volume is based on the lectures presented at the NATO Advanced Study Institute: (ASI) "Pollutants Formation from Combustion. Formation Mechanisms and Impact on th th Atmospheric Chemistry" held in Maratea, Italy, from 13 to 26 september 1998. Preservation of the environment is of increasing concern in individual countries but also at continental or world scales. The structure of a NATO ASI which involve lecturers and participants of different nationalities was thought as especially well suited to address environmental issues. As combustion is known to substantially contribute to the damaging of the atmosphere, it was natural to concentrate the ASI program on reviewing the currently available knowledge of the formation mechanisms of the main pollutants liberated by combustion systems. In most situations, pollutants are present as trace components and their formation and removal is strongly conditioned by the chemical reactions initiated by fuel consumption. Therefore specific lectures were aimed at defining precisely the general properties of combustion chemistry for gaseous, liquid and solid fuels. Physical factors can strongly affect the combustion chemistry and their influence was also considered. An interesting peculiarity of this specific ASI was to complement the program with a substantial part concerned with the impact of the main combustion pollutants: NOx, aromatics, soot, VOCs, sulphur and chlorinated compounds, on atmospheric chemistry.

Materials Syntheses - A Practical Guide (Hardcover, 2008 ed.): Ulrich Schubert, Nicola Husing, Richard Laine Materials Syntheses - A Practical Guide (Hardcover, 2008 ed.)
Ulrich Schubert, Nicola Husing, Richard Laine
R2,803 Discovery Miles 28 030 Ships in 10 - 15 working days

Materials syntheses are generally more complex than syntheses of inorganic or organic compounds, and specific characterization methods play a more important role. Materials synthesis protocols often suffer from unclarities, irreproducibility, lack in detail and lack in standards. The need to change this situation is the main motivation for this book. A number of detailed protocols has been collected, ranging from organic polymers to carbonaceous and ceramic materials, from gels to porous and layered materials and from powders and nanoparticles to films. Preparation methods include intercalation and flux methods, sol-gel processing, templating methods for porous materials, sonochemistry or spray pyrolysis.

Each contribution provides detailed and unambiguous description of the hardware, specific characteristics of the procedure, scope of applicability as well as methods that unequivocally identify and characterize the material and allow checking whether the synthesis was successful.

Corrosion of Constructional Steels in Marine and Industrial Environment - Frontier Work in Atmospheric Corrosion (Hardcover,... Corrosion of Constructional Steels in Marine and Industrial Environment - Frontier Work in Atmospheric Corrosion (Hardcover, 2013 ed.)
Jayanta Kumar Saha
R2,791 Discovery Miles 27 910 Ships in 10 - 15 working days

The book entails investigative methods for better understanding of the degradation process and uses of high performance paints formulation and also compares them on mild steel (MS) and weathering steel (WS) through various AC/DC electrochemical test methods and surface characterization through electron microscopy, XRD and Raman spectroscopy. This book also deals with the corrosion studies undertaken considering three phases (solid, liquid and gas) with latest techniques and the emphasis has also been given on degradation of materials due to atmospheric corrosion as this is of immense interest to present engineers and researchers. MS has got versatile application as structural steel for construction of buildings, bridges, flyovers, pipelines etc. But this is very much prone to corrosion in industrial and marine environments in presence of harmful pollutants and other industrial effluents in addition to normal humid atmosphere. These corrosion problems are much severe in a tropical country like India with vast coastline. MS corrodes relatively faster and thus leads to colossal loss in every year and to reduce this loss some kind of protection in the form of paints and coatings is always used. Painting is an effective means but quite costly amounting 10-15% of the initial construction cost of superstructures besides cost of repainting at regular interval.

Amorphous Solids and the Liquid State (Hardcover, 1985 ed.): Norman H. March, Robert A. Street, Mario P. Tosi Amorphous Solids and the Liquid State (Hardcover, 1985 ed.)
Norman H. March, Robert A. Street, Mario P. Tosi
R5,757 Discovery Miles 57 570 Ships in 10 - 15 working days

This book has its origins in the 1982 Spring College held at the Interna tional Centre for Theoretical Physics, Miramare, Trieste. The primary aim is to give a broad coverage of liquids and amorphous solids, at a level suitable for graduate students and research workers in condensed-matter physics, physical chemistry, and materials science. The book is intended for experimental workers with interests in the basic theory. While the topics covered are many, it was planned to place special emphasis on both static structure and dynamics, including electronic transport. This emphasis is evident from the rather complete coverage of the determination of static structure from both diffraction experiments and, for amorphous solids especially, from model building. The theory of the structure of liquids and liquid mixtures is then dealt with from the standpoint of, first, basic statistical mechanics and, subsequently, pair potentials constructed from the electron theory of simple metals and their alloys. The discussion of static structure is completed in two chapters with rather different emphases on liquid surfaces and interfaces. The first deals with the basic statistical mechanics of neutral and charged interfaces, while the second is concerned with solvation and double-layer effects. Dynamic structure is introduced by a comprehensive discussion of single-particle motion in liquids. This is followed by the structure and dynamics of charged fluids, where again much basic statistical mechanics is developed."

High Performance Non-Oxide Ceramics I (Hardcover, 2002 ed.): F. Aldinger High Performance Non-Oxide Ceramics I (Hardcover, 2002 ed.)
F. Aldinger; Edited by M. Jansen; Contributions by S. Fruhauf, U Herzog, M. Jansen, …
R5,549 Discovery Miles 55 490 Ships in 10 - 15 working days

The nitrides and carbides of boron and silicon are proving to be an excellent choice when selecting materials for the design of devices that are to be employed under particularly demanding environmental and thermal con- tions. The high degree of cross-linking, due to the preferred coordination numbers of the predominantly covalently bonded constituents equalling or exceeding three, lends these non-oxidic ceramics a high kinetic stability, and is regarded as the microscopic origin of their impressive thermal and mechanical durability. Thus it does not come as a surprise that the chemistry, the physical properties and the engineering of the corresponding binary, ternary, and even quaternary compounds have been the subject of intensive and sustained efforts in research and development. In the five reviews presented in the volumes 101 and 102 of "Structure and Bonding" an attempt has been made to cover both the essential and the most recent advances achieved in this particular field of materials research. The scope of the individual contributions is such as to address both graduate students, specializing in ceramic materials, and all scientists in academia or industry dealing with materials research and development. Each review provides, in its introductory part, the chemical, physical and, to some extent, historical background of the respective material, and then focuses on the most relevant and the most recent achievements.

Ice Microfluidics - Ice as Size-Tunable Separation Field and Physicochemical Nature of Freeze Concentrated Solutions... Ice Microfluidics - Ice as Size-Tunable Separation Field and Physicochemical Nature of Freeze Concentrated Solutions (Hardcover, 1st ed. 2019)
Arinori Inagawa
R2,789 Discovery Miles 27 890 Ships in 10 - 15 working days

This book explores the possibility of using micro/nanostructures formed on the doped ice surface as a novel separation platform. In addition, it provides comprehensive information on the nature of freeze-concentrated solutions (FCSs) and the ice/FCS interface, which play important roles in the natural environment and industrial processes alike. The book proposes a novel size-selective separation approach using channels formed on the doped ice surface. The separation is based on the physical interaction of analytes with channel walls, which is controlled by varying the channel width through temperature and dopant concentration changes. It also shows the precise control of the channel width to be in a range of 200 nm-4 m and demonstrates the size-selective separation of microspheres, cells, and DNA. The physicochemical properties of FCSs are measured to reveal the nature of the ice/FCS interface, and the zeta potentials of ice are measured by determining EOF rates in a microchannel fabricated in the ice. The deprotonation at OH dangling bonds and adsorption of ions are also discussed. The viscosities of FCSs confined in micro/nanospaces are evaluated by means of two spectroscopic methods. When an FCS is confined in small spaces surrounded by ice, the viscosity increases compared to that in a bulk solution. Interestingly, this viscosity enhancement occurs even though its size is on the micrometer scale. These parameters are essential to discussing the unique phenomena occurring in FCSs. This book provides an explanation of the scientific processes taking place in FCSs, and reveals the potential that frozen solutions hold as innovative micro/nanofluidic devices and reaction platforms.

Advances in Free Radical Chemistry, Volume 2 (Hardcover): S. Z. Zard Advances in Free Radical Chemistry, Volume 2 (Hardcover)
S. Z. Zard
R3,518 Discovery Miles 35 180 Ships in 10 - 15 working days

This series is designed to provide a vehicle in which investigators, who have demonstrated a high degree of competence in some aspect of free radical chemistry, can present a particular area of interest. The series encompasses a wide variety of topics which are of current interest.

A Non-Traditional Guide to Physical Chemistry - Insights using Hydrogen (Hardcover, 1st ed. 2022): Robert Schiller A Non-Traditional Guide to Physical Chemistry - Insights using Hydrogen (Hardcover, 1st ed. 2022)
Robert Schiller
R1,188 R955 Discovery Miles 9 550 Save R233 (20%) Ships in 10 - 15 working days

This book introduces in a non-traditional way the laws of physical chemistry and its history starting in the 16th century. It reveals to the reader how physical chemists try to understand chemical processes in terms of physical laws. Hydrogen is the main focus of the book as its simplicity makes the relevant laws of nature easy to explain and its role in energetics in the near future is clear. With the basics at hand, the importance of hydrogen as a raw material in the industry and as an energy carrier in the near future is made clear. Only simple chemical processes are discussed and very little mathematics is used. Both the pleasure and use of this field of research are revealed to the interested reader. The expected readership is made of high school students, non-chemistry major freshmen, and general audience with an interest in chemistry. The real aim of this book is to prompt the reader to wonder.

Bonding and Charge Distribution in Polyoxometalates: A Bond Valence Approach (Hardcover, 1999 ed.): D.M.P. Mingos Bonding and Charge Distribution in Polyoxometalates: A Bond Valence Approach (Hardcover, 1999 ed.)
D.M.P. Mingos; Contributions by S. Fischer, D. Kurad, J. Mehmke, K.H. Tytko
R2,837 Discovery Miles 28 370 Ships in 10 - 15 working days

This book presents the fundamentals of bonding in polyoxometalates and related oxides based on classical bonding concepts and the bond valence model. The in-depth treatment includes a revision of the procedure for the determination of the parameters of bond length-bond valence functions, the application of the bond valence model to polyoxometalates and related oxides, and the explanation of the distribution of the bond valences, and hence of the bond lengths, over the metal-oxygen bond and of the ionic charge on the oxygen atoms. Numerous tables and figures underline and illuminate the results. The principal author is a leader in the field of polyoxometalate chemistry. This work provides for the first time a comprehensive analysis of the structure and bonding in polyoxometalates, based on classical chemical concepts and the bond valence approach, and as such is a valuable resource for chemists, physicists and material scientists working in the field.

Solid State Luminescence - Theory, materials and devices (Hardcover, 1993 ed.): A.H. Kitai Solid State Luminescence - Theory, materials and devices (Hardcover, 1993 ed.)
A.H. Kitai
R4,346 Discovery Miles 43 460 Ships in 12 - 17 working days

Historically, black body radiation in the tungsten filament lamp was our primary industrial means for producing 'artificial' light, as it replaced gas lamps. Solid state luminescent devices for applications ranging from lamps to displays have proliferated since then, particularly owing to the develop ment of semiconductors and phosphors. Our lighting products are now mostly phosphor based and this 'cold light' is replacing an increasing fraction of tungsten filament lamps. Even light emitting diodes now chal lenge such lamps for automotive brake lights. In the area of information displays, cathode ray tube phosphors have proved themselves to be outstandingly efficient light emitters with excellent colour capability. The current push for flat panel displays is quite intense, and much confusion exists as to where development and commercialization will occur most rapidly, but with the need for colour, it is now apparent that solid state luminescence will play a primary role, as gas phase plasma displays do not conveniently permit colour at the high resolution needed today. The long term challenge to develop electroluminescent displays continues, and high performance fluorescent lamps currently illuminate liquid crystal monochrome and colour displays. The development of tri component rare earth phosphors is of particular importance."

Excited States in Organic Chemistry and Biochemistry - Proceedings of the Tenth Jerusalem Syposium on Quantum Chemistry and... Excited States in Organic Chemistry and Biochemistry - Proceedings of the Tenth Jerusalem Syposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, March 28/31, 1977 (Hardcover, 1977 ed.)
A. Pullman, N. Goldblum
R5,696 Discovery Miles 56 960 Ships in 10 - 15 working days

Proceedings of the 10th Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, March 28-31, 1977

Polymers in Solution - Theoretical Considerations and Newer Methods of Characterization (Hardcover, 1986 ed.): W.C. Forsman Polymers in Solution - Theoretical Considerations and Newer Methods of Characterization (Hardcover, 1986 ed.)
W.C. Forsman
R4,328 Discovery Miles 43 280 Ships in 12 - 17 working days

Polymers in Solution was written for scientists and engineers who have serious research interests in newer methods for characterization of polymer solutions, but who are not seasoned experts in the theoretical and experimental aspects of polymer science. In particular, it is assumed that the reader is not familiar with the development of theoretical notions in conformational statistics and the dynamics of chainlike molecules; how these two seemingly diverse theoretical topics are related; and the role played by polymer-solvent interactions. Chapter 1 thus presents background material that introduces most of the essential concepts, including some of the mathematical apparatus most commonly used in these areas of theory. This introduction is followed by five chapters that are more closely related to particular experimental techniques. These chapters introduce further theoretical notions as needed. Three of the chapters present con siderable detail on the experimental methods, while two other chapters deal more with the interpretation of experimental results in terms of current theories. Although neutron scattering has become an almost standard technique for the study of conformational properties of macromolecules in the solid state, there has been less emphasis on its application for characterization of polymer molecules in solution. Chapter 4 covers this growing area of application."

Electrochemical Nanotechnologies (Hardcover, 2010): Tetsuya Osaka, Madhav Datta, Yosi Shacham-Diamand Electrochemical Nanotechnologies (Hardcover, 2010)
Tetsuya Osaka, Madhav Datta, Yosi Shacham-Diamand
R4,269 Discovery Miles 42 690 Ships in 10 - 15 working days

In this book, the term "electrochemical nanotechnology" is defined as nanoprocessing by means of electrochemical techniques. This introductory book reviews the application of electrochemical nanotechnologies with the aim of understanding their wider applicability in evolving nanoindustries. These advances have impacted microelectronics, sensors, materials science, and corrosion science, generating new fields of research that promote interaction between biology, medicine, and microelectronics.

This volume reviews nanotechnology applications in selected high technology areas with particular emphasis on advances in such areas. Chapters are classified under four different headings: Nanotechnology for energy devices - Nanotechnology for magnetic storage devices - Nanotechnology for bio-chip applications - Nanotechnology for MEMS/Packaging.

Molecular Photophysics and Spectroscopy (Second Edition) (Hardcover): David L Andrews, Robert H. Lipson Molecular Photophysics and Spectroscopy (Second Edition) (Hardcover)
David L Andrews, Robert H. Lipson
R2,049 Discovery Miles 20 490 Ships in 12 - 17 working days
Photodynamic Therapy - Methods and Protocols (Hardcover, 1st ed. 2022): Mans Broekgaarden, Hong Zhang, Mladen Korbelik, Michael... Photodynamic Therapy - Methods and Protocols (Hardcover, 1st ed. 2022)
Mans Broekgaarden, Hong Zhang, Mladen Korbelik, Michael R. Hamblin, Michal Heger
R8,188 Discovery Miles 81 880 Ships in 12 - 17 working days

This collection explores state-of-the-art methods and protocols for research on photodynamic therapy (PDT) and its use in a wide range of medical applications, from antiviral to anticancer. Beginning with an extensive section on in vitro and in vivo models, the volume continues with chapters on oxygen-independent photosensitizers, next-generation photosensitization strategies, contemporary insights into the immunomodulatory effects of PDT, antimicrobial effects of PDT, as well as a variety of general biochemical and molecular biological techniques. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of detailed implementation advice that ensures successful results in the lab. Thorough and authoritative, Photodynamic Therapy: Methods and Protocols serves as an ideal source of inspiration for both new and established PDT scientists and a guide for designing innovative research programs in this continuously advancing and multidisciplinary field.

Chemistry and Technology of the Cosmetics and Toiletries Industry (Hardcover): D.F. Williams, W.H. Schmitt Chemistry and Technology of the Cosmetics and Toiletries Industry (Hardcover)
D.F. Williams, W.H. Schmitt
R2,412 Discovery Miles 24 120 Ships in 12 - 17 working days

Organized on a product category basis, this book provides a review of, and introduction to, the cosmetics and toiletries industry in a readily digestible form. The point of view is that of the chemist, whilst extensive coverage of economic and market recognizes the importance of these constraints. Authors discuss the rationale of raw material selection, the formulation and development of products that meet the demands of an international market place, product performances, and safety and quality aspects. Regulatory issues are considered from a worldwide perspective. The editors (British and American) have assembled an international team of contributors all of whom have extensive experience from distinguished careers within the industry. This book is for chemists and engineers, especially those new to the industry.

Electronic Density Functional Theory - Recent Progress and New Directions (Hardcover, 1998 ed.): John F. Dobson, Giovanni... Electronic Density Functional Theory - Recent Progress and New Directions (Hardcover, 1998 ed.)
John F. Dobson, Giovanni Vignale, Mukunda P. Das
R4,390 Discovery Miles 43 900 Ships in 12 - 17 working days

This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a great mixer. Invited experts from North America, Europe, and Australia mingled with students from several disciplines, rapidly taking up the informal style for which Australia is famous. A list of participants is given at the end of the book. Density functional theory (DFT) is a subtle approach to the very difficult problem of predicting the behavior of many interacting particles. A major application is the study of many-electron systems. This was the workshop theme, embracing inter alia computational chemistry and condensed matter physics. DFT circumvents the more conceptually straightforward (but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on rather delicate considerations involving the electron number density. For many years the pioneering work of Kohn and Sham (the Local Density Ap proximation of 1965 and immediate extensions) represented the state of the art in DFT. This approach was widely used for its appealing simplicity and computability, but gave rather modest accuracy. In the last few years there has been a renaissance of interest, quite largely due to the remarkable success of the new generation of gradient functionals whose initiators include invitees to the workshop (Perdew, Parr, Yang)."

Structures and Structure Determination (Hardcover, 1999 ed.): Hellmut G. Karge Structures and Structure Determination (Hardcover, 1999 ed.)
Hellmut G. Karge; Contributions by C Baerlocher; Edited by Jens Weitkamp; Contributions by J.M. Bennett, W. Depmeier, …
R5,440 Discovery Miles 54 400 Ships in 10 - 15 working days

"Molecular Sieves - Science and Technology" will cover, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. Authored by renowned experts, the contributions will be grouped together topically in such a way that each volume of the book series will be dealing with a specific sub-field. Volume 2 covers both the description of the various, complementary techniques for structure determination of microporous and mesoporous matter and their applications illustrated by a large number of pertinent examples. It also deals with general aspects of structures and structure distortions of microporous materials. In summary, Volume 2 provides the researchers in the field of zeolites and related materials with the indispensable knowledge of the great potential of modern methods for structure analysis.

Direct Methods of Solving Crystal Structures (Hardcover, 1991 ed.): Henk Schenk Direct Methods of Solving Crystal Structures (Hardcover, 1991 ed.)
Henk Schenk
R5,694 Discovery Miles 56 940 Ships in 10 - 15 working days

Proceedings of the 18th course of the International School of Crystallography, held April 1990, in Erice, Italy. Annotation copyright Book News, Inc. Portland, Or.

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