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My Revision Notes: Engineering and Manufacturing T Level (Paperback): Andrew Buckenham, Andrew Topliss, Stephen Wilson, David... My Revision Notes: Engineering and Manufacturing T Level (Paperback)
Andrew Buckenham, Andrew Topliss, Stephen Wilson, David Hills-Taylor
R623 Discovery Miles 6 230 Ships in 9 - 15 working days
The Unity of Matter, a Dialogue (Paperback): Alexander Stephen Wilson The Unity of Matter, a Dialogue (Paperback)
Alexander Stephen Wilson
R367 Discovery Miles 3 670 Ships in 12 - 17 working days
A General Introduction to Psychoanalysis (Paperback, UK ed.): Sigmund Freud A General Introduction to Psychoanalysis (Paperback, UK ed.)
Sigmund Freud; Introduction by Stephen Wilson; Series edited by Tom Griffith
R169 R125 Discovery Miles 1 250 Save R44 (26%) Ships in 9 - 15 working days

Sigmund Freud's controversial ideas have penetrated Western culture more deeply than those of any other psychologist. The 'Freudian slip', the 'Oedipus complex', 'childhood sexuality', 'libido', 'narcissism' 'penis envy', the 'castration complex', the 'id', the 'ego' and the 'superego', 'denial', 'repression', 'identification', 'projection', 'acting out', the 'pleasure principle', the 'reality principle', 'defence-mechanism' - are all taken for granted in our everyday vocabulary.
Psychoanalysis was never just a method of treatment, rather a vision of the human condition which has continued to fascinate and provoke long after the death of its originator. Its central hypothesis, that we live in conflict with ourselves and seek to resolve matters by turning away from reality, did not emerge from experimental science but from self-examination and the unique opportunities for observation presented by the psychoanalytic technique - in particular, from the confessions produced by 'free-association' in Freud's consulting room. Written during the turmoil of the First World War, "A General Introduction to Psychoanalysis" was distilled from a series of lectures given at Vienna University, but had to wait for the war to end before being made available to the English speaking world.

Complicated Game - Inside the Songs of XTC (Paperback): Andy Partridge Complicated Game - Inside the Songs of XTC (Paperback)
Andy Partridge; As told to Todd Bernhardt; Foreword by Steven Wilson
R493 R377 Discovery Miles 3 770 Save R116 (24%) Ships in 12 - 17 working days

Complicated Game offers a unique insight into the work of one of Britain's most original and influential songwriters-and an unprecedentedly revealing and instructive guide to how songs and records are made. Developed from a series of interviews conducted over many months, this fascinating book explores in detail some thirty XTC songs-including well-known singles such as 'Senses Working Overtime' and the controversial 'Dear God'-from throughout the group's thirty-year career. It casts new light on the writing of lyrics, the construction of melodies and arrangements, the process of recording, and the workings of the?music industry. But it is also filled with anecdotes about Partridge, his XTC bandmates, and their adventures around the world, all told with the songwriter's legendary humour. The book also includes pages from Partridge's songwriting notebooks and reproductions of his original artwork designs, as well as a guide to Andy Partridge's Swindon and a foreword by Steven Wilson, the guitarist, songwriter, and record producer best known as the founder and leader of Porcupine Tree.

The Persistence of Taste - Art, Museums and Everyday Life After Bourdieu (Hardcover): Malcolm Quinn, Dave Beech, Michael... The Persistence of Taste - Art, Museums and Everyday Life After Bourdieu (Hardcover)
Malcolm Quinn, Dave Beech, Michael Lehnert, Carol Tulloch, Stephen Wilson
R4,134 Discovery Miles 41 340 Ships in 12 - 17 working days

This book offers an interdisciplinary analysis of the social practice of taste in the wake of Pierre Bourdieu's sociology of taste. For the first time, this book unites sociologists and other social scientists with artists and curators, art theorists and art educators, and art, design and cultural historians who engage with the practice of taste as it relates to encounters with art, cultural institutions and the practices of everyday life, in national and transnational contexts. The volume is divided into four sections. The first section on 'Taste and art', shows how art practice was drawn into the sphere of 'good taste', contrasting this with a post-conceptualist critique that offers a challenge to the social functions of good taste through an encounter with art. The next section on 'Taste making and the museum' examines the challenges and changing social, political and organisational dynamics propelling museums beyond the terms of a supposedly universal institution and language of taste. The third section of the book, 'Taste after Bourdieu in Japan' offers a case study of the challenges to the cross-cultural transmission and local reproduction of 'good taste', exemplified by the complex cultural context of Japan. The final section on 'Taste, the home and everyday life' juxtaposes the analysis of the reproduction of inequality and alienation through taste, with arguments on how the legacy of ideas of 'good taste' have extended the possibilities of experience and sharpened our consciousness of identity. As the first book to bring together arts practitioners and theorists with sociologists and other social scientists to examine the legacy and continuing validity of Pierre Bourdieu's sociology of taste, this publication engages with the opportunities and problems involved in understanding the social value and the cultural dispositions of taste 'after Bourdieu'. It does so at a moment when the practice of taste is being radically changed by the global expansion of cultural choices, and the emergence of deploying impersonal algorithms as solutions to cultural and creative decision-making.

Empath's Quest: Finding Your Destiny (Hardcover): Bety Comerford, Steven Wilson Empath's Quest: Finding Your Destiny (Hardcover)
Bety Comerford, Steven Wilson
R534 R415 Discovery Miles 4 150 Save R119 (22%) Ships in 12 - 17 working days

Empathy can help you on your quest to understand life and destiny. Do you often feel as though you are being blindly pulled along-searching for answers, trying to make sense of why things happen the way they do? Is it possible the answer is right in front of you? Discover via twelve lessons why you are here and why your gift of empathy is so valuable to your search for your destiny. Delve into your own timeline and learn the ways it can help you comprehend your life and determine why your existence is the way it is. Explore how your life is designed to teach you to make energetic choices and how to fight becoming the victim of energy you feel. This follow-up book to The Reluctant Empath goes deeper into the gift of empathy and how to use it effectively. Understand why you have the power to navigate your own life-right now.

Student Guide to Isaac Rosenberg (Paperback): Stephen Wilson Student Guide to Isaac Rosenberg (Paperback)
Stephen Wilson
R377 Discovery Miles 3 770 Ships in 12 - 17 working days
Chemical Modelling - Applications and Theory Volume 4 (Hardcover, Edition.): Theodore E. Simos, Stephen Wilson, Michael... Chemical Modelling - Applications and Theory Volume 4 (Hardcover, Edition.)
Theodore E. Simos, Stephen Wilson, Michael Springborg, David Pugh, Richard A. Lewis, …
R10,910 Discovery Miles 109 100 Ships in 12 - 17 working days

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.

Chemical Modelling - Applications and Theory Volume 3 (Hardcover, Edition.): E.A. Moore, Brian T. Sutcliffe, A.H. Pakiari,... Chemical Modelling - Applications and Theory Volume 3 (Hardcover, Edition.)
E.A. Moore, Brian T. Sutcliffe, A.H. Pakiari, Theodore E. Simos, Stephen Wilson, …
R10,900 Discovery Miles 109 000 Ships in 12 - 17 working days

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

Chemical Modelling - Applications and Theory Volume 2 (Hardcover, Edition.): D. M. Heyes, Theodore E. Simos, Stephen Wilson,... Chemical Modelling - Applications and Theory Volume 2 (Hardcover, Edition.)
D. M. Heyes, Theodore E. Simos, Stephen Wilson, Paul L. a. Popelier, Michael Springborg, …
R10,901 Discovery Miles 109 010 Ships in 12 - 17 working days

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.

Chemical Modelling - Applications and Theory Volume 1 (Hardcover, Edition.): Theodore E. Simos, Stephen Wilson, Paul L. a.... Chemical Modelling - Applications and Theory Volume 1 (Hardcover, Edition.)
Theodore E. Simos, Stephen Wilson, Paul L. a. Popelier, F.M. Aicken, S O'Brien, …
R10,899 Discovery Miles 108 990 Ships in 12 - 17 working days

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules and materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.

The Means Of Naming - A Social History (Paperback): Stephen Wilson The Means Of Naming - A Social History (Paperback)
Stephen Wilson
R1,309 Discovery Miles 13 090 Ships in 12 - 17 working days

Names and never given accidentally; they are chosen and bestowed according to implicit or rules, and the kinds names are accidentally; they explicit of names given and the kinds of rules followed reflect fundamental features of the society and culture concerted. This path-breaking work of social history looks at the historical significance of names and naming practices across from the Ancient Greeks to the present day. As a fascinating survey, bridging anthropology and history, it will be of interest to a wide readership of scholars and students and to anyone who has had at some time to bestow a name.

The Means Of Naming - A Social History (Hardcover): Stephen Wilson The Means Of Naming - A Social History (Hardcover)
Stephen Wilson
R4,172 Discovery Miles 41 720 Ships in 12 - 17 working days

First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.

Limited Edition of One (Hardcover): Steven Wilson Limited Edition of One (Hardcover)
Steven Wilson; As told to Mick Wall
R784 R641 Discovery Miles 6 410 Save R143 (18%) Ships in 9 - 15 working days

The more I thought about it, the more I realised my career has been unusual. How did I manage to do everything wrong but still end up on the front cover of magazines, headlining world tours and achieving Top 5 albums? How did I attract such obsessive and fanatical fans, many of whom take everything I do or say very personally, which is simultaneously flattering but can also be tremendously frustrating? Even this I somehow cultivated without somehow meaning to. My accidental career. Limited Edition of One is unlike any other music book you will ever have read. Part the long-awaited memoir of Steven Wilson: whose celebrated band Porcupine Tree began as teenage fiction before unintentionally evolving into a reality that encompassed Grammy-nominated records and sold-out shows around the world, before he set out for an even more successful solo career. Part the story of a twenty-first century artist who achieved chart-topping mainstream success without ever becoming part of the mainstream. From Abba to Stockhausen, via a collection of conversations and thought pieces on the art of listening, the rules of collaboration, lists of lists, personal stories, professional adventurism (including food, film, TV, modern art), old school rock stardom, how to negotiate an obsessive fanbase and survive on social media, and dream-fever storytelling.

Methods in Computational Chemistry - Volume 3: Concurrent Computation in Chemical Calculations (Paperback, Softcover reprint of... Methods in Computational Chemistry - Volume 3: Concurrent Computation in Chemical Calculations (Paperback, Softcover reprint of the original 1st ed. 1989)
Stephen Wilson
R1,543 Discovery Miles 15 430 Ships in 10 - 15 working days

Recent years have seen the proliferation of new computer designs that employ parallel processing in one form or another in order to achieve maximum performance. Although the idea of improving the performance of computing machines by carrying out parts of the computation concurrently is not new (indeed, the concept was known to Babbage ), such machines have, until fairly recently, been confined to a few specialist research laboratories. Nowadays, parallel computers are commercially available and they are finding a wide range of applications in chemical calculations. The purpose of this volume is to review the impact that the advent of concurrent computation is already having, and is likely to have in the future, on chemical calculations. Although the potential of concurrent computation is still far from its full realization, it is already clear that it may turn out to be second in importance only to the introduction of the electronic digital computer itself.

Methods in Computational Chemistry - Volume 1 Electron Correlation in Atoms and Molecules (Paperback, Softcover reprint of the... Methods in Computational Chemistry - Volume 1 Electron Correlation in Atoms and Molecules (Paperback, Softcover reprint of the original 1st ed. 1987)
Stephen Wilson
R4,513 Discovery Miles 45 130 Ships in 10 - 15 working days

When, forty years ago, as a student of Charles Coulson in Oxford I began work in theoretical chemistry, I was provided with a Brunsviga calculator-a small mechanical device with a handle for propulsion, metal levers for setting the numbers, and a bell that rang to indicate overflow. What has since come to be known as computational chemistry was just beginning. There followed a long period in which the fundamental theory of the "golden age" (1925-1935) was extended and refined and in which the dreams of the early practitioners were gradually turned into hard arithmetic reality. As a still-computing survivor from the early postwar days now enjoying the benefits of unbelievably improved hardware, I am glad to contribute a foreword to this series and to have the opportunity of providing a little historical perspective. After the Brunsviga came the electromechanical machines of the late 1940s and early 1950s, and a great reduction in the burden of calculating molecular wavefunctions. We were now happy. At least for systems con taining a few electrons it was possible to make fully ab initio calculations, even though semiempirical models remained indispensable for most molecules of everyday interest. The 1950 papers of Hall and of Roothaan represented an important milestone along the road to larger-scale non empirical calculations, extending the prewar work of Hartree and Fock from many-electron atoms to many-electron molecules-and thus into "real chemistry."

Methods in Computational Molecular Physics (Paperback, Softcover reprint of the original 1st ed. 1992): Stephen Wilson, Geerd... Methods in Computational Molecular Physics (Paperback, Softcover reprint of the original 1st ed. 1992)
Stephen Wilson, Geerd H.F. Diercksen
R3,035 Discovery Miles 30 350 Ships in 10 - 15 working days

This volume records the lectures given at a NATO Advanced Study Institute on Methods in Computational Molecular Physics held in Bad Windsheim, Germany, from 22nd July until 2nd. August, 1991. This NATO Advanced Study Institute sought to bridge the quite considerable gap which exist between the presentation of molecular electronic structure theory found in contemporary monographs such as, for example, McWeeny's Methods 0/ Molecular Quantum Mechanics (Academic Press, London, 1989) or Wilson's Electron correlation in moleeules (Clarendon Press, Oxford, 1984) and the realization of the sophisticated computational algorithms required for their practical application. It sought to underline the relation between the electronic structure problem and the study of nuc1ear motion. Software for performing molecular electronic structure calculations is now being applied in an increasingly wide range of fields in both the academic and the commercial sectors. Numerous applications are reported in areas as diverse as catalysis and interstellar chernistry, drug design and environmental studies, molecular biology and solid state physics. The range of applications continues to increase as scientists recognize the importance of molecular structure studies to their research activities. Recent years have seen a growing dependence of these applications on program packages, which are often not in the public domain and which may have a somewhat lirnited range of applicability dicta ted by the particular interests and prejudices of the program author.

The Persistence of Taste - Art, Museums and Everyday Life After Bourdieu (Paperback): Malcolm Quinn, Dave Beech, Michael... The Persistence of Taste - Art, Museums and Everyday Life After Bourdieu (Paperback)
Malcolm Quinn, Dave Beech, Michael Lehnert, Carol Tulloch, Stephen Wilson
R1,293 Discovery Miles 12 930 Ships in 12 - 17 working days

This book offers an interdisciplinary analysis of the social practice of taste in the wake of Pierre Bourdieu's sociology of taste. For the first time, this book unites sociologists and other social scientists with artists and curators, art theorists and art educators, and art, design and cultural historians who engage with the practice of taste as it relates to encounters with art, cultural institutions and the practices of everyday life, in national and transnational contexts. The volume is divided into four sections. The first section on 'Taste and art', shows how art practice was drawn into the sphere of 'good taste', contrasting this with a post-conceptualist critique that offers a challenge to the social functions of good taste through an encounter with art. The next section on 'Taste making and the museum' examines the challenges and changing social, political and organisational dynamics propelling museums beyond the terms of a supposedly universal institution and language of taste. The third section of the book, 'Taste after Bourdieu in Japan' offers a case study of the challenges to the cross-cultural transmission and local reproduction of 'good taste', exemplified by the complex cultural context of Japan. The final section on 'Taste, the home and everyday life' juxtaposes the analysis of the reproduction of inequality and alienation through taste, with arguments on how the legacy of ideas of 'good taste' have extended the possibilities of experience and sharpened our consciousness of identity. As the first book to bring together arts practitioners and theorists with sociologists and other social scientists to examine the legacy and continuing validity of Pierre Bourdieu's sociology of taste, this publication engages with the opportunities and problems involved in understanding the social value and the cultural dispositions of taste 'after Bourdieu'. It does so at a moment when the practice of taste is being radically changed by the globa

Advances in the Theory of Atomic and Molecular Systems - Dynamics, Spectroscopy, Clusters, and Nanostructures (Paperback, 2009... Advances in the Theory of Atomic and Molecular Systems - Dynamics, Spectroscopy, Clusters, and Nanostructures (Paperback, 2009 ed.)
Piotr Piecuch, Jean Maruani, Gerardo Delgado-Barrio, Stephen Wilson
R3,213 Discovery Miles 32 130 Ships in 10 - 15 working days

Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled Dynamics, Spectroscopy, Clusters, and Nanostructures ) deals with the topics of Quantum Dynamics and Spectroscopy, Complexes and Clusters, and Nanostructures and Complex Systems .

This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering."

Advances in the Theory of Atomic and Molecular Systems - Conceptual and Computational Advances in Quantum Chemistry (Paperback,... Advances in the Theory of Atomic and Molecular Systems - Conceptual and Computational Advances in Quantum Chemistry (Paperback, 2009 ed.)
Piotr Piecuch, Jean Maruani, Gerardo Delgado-Barrio, Stephen Wilson
R5,811 Discovery Miles 58 110 Ships in 10 - 15 working days

Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations.

This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.

Brillouin-Wigner Methods for Many-Body Systems (Paperback, 2010 ed.): Stephen Wilson, Ivan Hubac Brillouin-Wigner Methods for Many-Body Systems (Paperback, 2010 ed.)
Stephen Wilson, Ivan Hubac
R5,758 Discovery Miles 57 580 Ships in 10 - 15 working days

Brillouin-Wigner Methods for Many-Body Systems gives an introduction to many-body methods in electronic structure theory for the graduate student and post-doctoral researcher. It provides researchers in many-body physics and theoretical chemistry with an account of Brillouin-Wigner methodology as it has been developed in recent years to handle the multireference correlation problem. Moreover, the frontiers of this research field are defined.

This volume is of interest to atomic and molecular physicists, physical chemists and chemical physicists, quantum chemists and condensed matter theorists, computational chemists and applied mathematicians.

Methods in Computational Molecular Physics (Paperback, Softcover reprint of the original 1st ed. 1983): Geerd H.F. Diercksen,... Methods in Computational Molecular Physics (Paperback, Softcover reprint of the original 1st ed. 1983)
Geerd H.F. Diercksen, Stephen Wilson
R5,785 Discovery Miles 57 850 Ships in 10 - 15 working days

This NATO Advanced Study Institute was concerned with modern ab initio methods for the determination of the electronic structure of molecules. Recent years have seen considerable progress in computer technology and computer science and these developments have had a very significant influence on computational molecular physics. Progress in computer technology has led to increasingly larger and faster systems as well as powerful minicomputers. Simultaneous research in computer science has explored new methods for the optimal use of these resources. To a large extent develop ments in computer technology, computer science and computational molecular physics have been mutually dependent. The availability of new computational resources, particularly minicomputers and, more recently, vector processors, has stimulat'ed a great deal of research in molecular physics. Well established techniques have been reformulated to make more efficient use of the new computer technology and algorithms which were previously computationally intractable have now been successfully implemented. This research has given a new and exciting insight into molecular structure and molecular processes by enabling smaller systems to be studied in greater detail and larger systems to be studied for the first time."

Chemistry by Computer - An Overview of the Applications of Computers in Chemistry (Paperback, Softcover reprint of the original... Chemistry by Computer - An Overview of the Applications of Computers in Chemistry (Paperback, Softcover reprint of the original 1st ed. 1986)
Stephen Wilson
R1,539 Discovery Miles 15 390 Ships in 10 - 15 working days

Computers have been applied to problems in chemistry and the chemical sciences since the dawn of the computer age; however, it is only in the past ten or fifteen years that we have seen the emergence of computational chemistry as a field of research in its own right. Its practitioners, computational chemists, are neither chemists who dabble in computing nor programmers who have an interest in chemistry, but computa tional scientists whose aim is to solve a wide range of chemical problems using modern computing machines. This book gives a broad overview of the methods and techniques employed by the computational chemist and of the wide range of problems to which he is applying them. It is divided into three parts. The first part records the basics of chemistry and of computational science that are essential to an understanding of the methods of computational chemistry. These methods are described in the second part of the book. In the third part, a survey is given of some areas in which the techniques of computational chemistry are being applied. As a result of the limited space available in a single volume, the areas covered are necessarily selective. Nevertheless, a sufficiently wide range of applications are described to provide the reader with a balanced overview of the many problems being attacked by computational studies in chemistry."

Problem Solving in Computational Molecular Science - Molecules in Different Environments (Paperback, Softcover reprint of the... Problem Solving in Computational Molecular Science - Molecules in Different Environments (Paperback, Softcover reprint of the original 1st ed. 1997)
Stephen Wilson, Geerd H.F. Diercksen
R3,006 Discovery Miles 30 060 Ships in 10 - 15 working days

For all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which contains the essential physics and chemistry, is computationally tractable, and preferably amenable to systematic refinement. The provision of advice on the choice of an appropriate model for a specific problem has so far received scant attention. This issue is becoming acute as standard' software packages are becoming widely available and are being increasingly heavily used in both the academic and industrial sectors by researchers who have received no special training in the theoretical physics and chemistry that underpins them. This volume provides researchers whose background may not be in the computational molecular sciences with the necessary background to make intelligent use of the methods available by performing reliable calculations of appropriate accuracy and making a considered interpretation of the data so obtained.

Methods in Computational Chemistry - Volume 2 Relativistic Effects in Atoms and Molecules (Paperback, Softcover reprint of the... Methods in Computational Chemistry - Volume 2 Relativistic Effects in Atoms and Molecules (Paperback, Softcover reprint of the original 1st ed. 1988)
Stephen Wilson
R1,557 Discovery Miles 15 570 Ships in 10 - 15 working days

Thisvolume isdevotedtomethodsfor thestudyoftheeffectsofrelativity on theelectronicstructure ofatomsand molecules. The accurate descrip tionofrelativisticeffectsinheavyatomshaslongbeenrecognizedasoneof the central problems ofatomic physics. Contemporary relativistic atomic structure calculations can be performed almost routinely. Recent years have seen agrowinginterestin thestudyoftheeffects ofrelativityon the structureofmolecules. Even for molecularsystemscontainingatoms from thesecondrowoftheperiodictable theenergyassociatedwith relativistic effects is often larger than that arising from electron correlation. For moleculescontainingheavieratoms relativistic effects become increasingly important, andforsystemscontainingveryheavyatomsrelativityisknown todominatemanychemicalproperties. In this volum, one of the pioneers of relativistic atomic structure calculations, Ian P. Grant, providesadetailedsurveyofthecomputational techniquesemployedincontemporarystudiesoftheeffectsofrelativityon atomicstructure. Thisisanareaofresearchinwhichcalculationscanoften lead to a particularly impressive degreeofagreement between theoryand experiment. Furthermore, theseatomicstudies haveprovided manyofthe foundations of a fully relativistic quantum chemistry. However, the spherical symmetry ofatoms allows significantsimplificationsto bemade in their quantum mechanical treatment, simplifications which are not possibleinstudiesofmolecules. Inparticular, as is wellknown from non relativistictheoriesofmolecularelectronicstructure, itisalmostobligatory to invoke the algebraic approximation in molecular work and use finite basis set expansions. The problem of describing relativistic effects in molecules is addressed in Chapter2 by Stephen Wilson. This chapter is devotedtoab initiorelativisticmolecularstructurecalculationsinwhichall electrons are explicitly considered. The problem of induding relativistic effects in molecular studies is also addressed in Chapters3 and 4. In Chapter 3, Odd Gropen describes the use of relativistic effective core ix x Preface potentials in calculations on molecular systems involving heavy atoms. This approach can lead to more tractable algorithms than the methods described in Chapter2 and thus significantly extends the range of applications. The use of semiempirical methods has yielded a wealth of informationabouttheinfluenceofrelativityonthechemistryoftheheavier elements. Thisimportantarea is reviewed inChapter4 by Pekka Pyykk6. Finally, inChapter5, Harry M."

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