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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry

Quantum Chemistry and Dynamics of Excited States - Methods and Applications (Hardcover): Leticia Gonzalez, Roland Lindh Quantum Chemistry and Dynamics of Excited States - Methods and Applications (Hardcover)
Leticia Gonzalez, Roland Lindh
R5,222 Discovery Miles 52 220 Ships in 7 - 11 working days

An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ? Essential theoretical techniques to describe the properties and dynamics of chemical systems ? Electronic Structure methods for stationary calculations ? Methods for electronic excited states from both a quantum chemical and time-dependent point of view ? A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.

Simply Quantum Physics (Hardcover): Dk Simply Quantum Physics (Hardcover)
Dk
R240 R192 Discovery Miles 1 920 Save R48 (20%) Ships in 5 - 10 working days

Discovering quantum physics has never been easier. Combining bold graphics with easy-to-understand text, Simply Quantum Physics is an essential introduction to the subject for those who are short of time but hungry for knowledge. It is a perfect beginner's guide to the strange and fascinating world of subatomic physics that at times seems to conflict with common sense. Covering more than 100 key ideas from the basics of quantum mechanics to the uncertainty principle and quantum tunnelling, it is divided into pared-back, single- or double-page entries that explain concepts simply and visually. Assuming no previous knowledge of physics, Simply Quantum Physics demystifies some of the most groundbreaking ideas in modern science and introduces the work of some of the most famous physicists of the 20th and 21st centuries, including Albert Einstein, Neils Bohr, Erwin Schroedinger, and Richard Feynman. Whether you are studying physics at school or college, or simply want a jargon-free overview of the subject, this essential guide is packed with everything you need to understand the basics quickly and easily.

Computational Chemistry (Paperback): Jeremy Harvey Computational Chemistry (Paperback)
Jeremy Harvey
R616 Discovery Miles 6 160 Ships in 10 - 15 working days

The renowned Oxford Chemistry Primers series, which provides focused introductions to a range of important topics in chemistry, has been refreshed and updated to suit the needs of today's students, lecturers, and postgraduate researchers. The rigorous, yet accessible, treatment of each subject area is ideal for those wanting a primer in a given topic to prepare them for more advanced study or research. The learning features provided, including exercises at the end of every chapter and online multiple-choice questions, encourage active learning and promote understanding. Moreover, cutting-edge examples and applications throughout the texts show the relevance to current research and industry of the chemistry being described. Computational Chemistry provides a user-friendly introduction to this powerful way of characterizing and modelling chemical systems. This primer provides the perfect introduction to the subject, leading the reader through the basic principles before showing the variety of ways in which computational chemistry is applied in practice to study real molecules, all illustrated by frequent examples. Online Resource Centre The Online Resource Centre to accompany Computational Chemistry features: For registered adopters of the text: * Figures from the book available to download For students: * Full worked solutions to the end-of-chapter exercises * Multiple-choice questions for self-directed learning

Student Problems and Solutions Manual for Quantum Chemistry 2e (Paperback, 2nd ed. 2007): Mark Marshall, Helen Leung Student Problems and Solutions Manual for Quantum Chemistry 2e (Paperback, 2nd ed. 2007)
Mark Marshall, Helen Leung
R1,340 Discovery Miles 13 400 Ships in 12 - 17 working days

This Solutions Manual accompanies the second edition of Donald McQuarrie's Quantum Chemistry. It contains each of the more than 700 problems in the text, followed by a detailed solution. Written by chemistry faculty members Helen O. Leung and Mark D. Marshall, both of Amherst College, in conjunction with Prof. McQuarrie, each solution combines the clarity the authors use in teaching the same material in their own classrooms with the rigor appropriate to learning and appreciating an introduction to quantum chemistry. Both Helen Leung and Mark Marshall are recipients of the Henry Dreyfus Teacher-Scholar Award. They bring to the manual the insight gained from years of using quantum mechanics as spectroscopists with active research programs along with strong, effective pedagogy.

Statistical Thermodynamics (Paperback, 2nd Revised edition): Andrew Maczek, Anthony J.H.M. Meijer Statistical Thermodynamics (Paperback, 2nd Revised edition)
Andrew Maczek, Anthony J.H.M. Meijer
R630 Discovery Miles 6 300 Ships in 12 - 17 working days

The renowned Oxford Chemistry Primers series, which provides focused introductions to a range of important topics in chemistry, has been refreshed and updated to suit the needs of today's students, lecturers, and postgraduate researchers. The rigorous, yet accessible, treatment of each subject area is ideal for those wanting a primer in a given topic to prepare them for more advanced study or research. The learning features provided, including end of book problems and online multiple-choice questions, encourage active learning and promote understanding. Furthermore, frequent diagrams and margin notes help to enhance a student's understanding of these essential areas of chemistry. Statistical Thermodynamics gives a concise and accessible account of this fundamental topic by emphasizing the underlying physical chemistry, and using this to introduce the mathematics in an approachable way. The material is presented in short, self-contained sections making it flexible to teach and learn from, and concludes with the application of the theory to real systems. Online Resource Centre: The Online Resource Centre to accompany Statistical Thermodynamics features: For registered adopters of the text: * Figures from the book available to download For students: * Worked solutions to the questions and problems at the end of the book. * Multiple-choice questions for self-directed learning

Distance, Symmetry, and Topology in Carbon Nanomaterials (Hardcover, 1st ed. 2016): Ali Reza Ashrafi, Mircea V. Diudea Distance, Symmetry, and Topology in Carbon Nanomaterials (Hardcover, 1st ed. 2016)
Ali Reza Ashrafi, Mircea V. Diudea
R4,922 Discovery Miles 49 220 Ships in 7 - 11 working days

This contributed volume is inspired by the seminal discovery and identification of C60. Starting with a comprehensive discussion featuring graphene based nanostructures, subsequent chapters include topological descriptions of matrices, polynomials and indices, and an extended analysis of the symmetry and topology of nanostructures. Carbon allotropes such as diamond and its connection to higher-dimensional spaces is explored along with important mathematical and topological considerations. Further topics covered include spontaneous symmetry breaking in graphene, polyhedral carbon structures, nanotube junction energetics, and cyclic polyines as relatives of nanotubes and fullerenes. This book is aimed at researchers active in the study of carbon materials science and technology.

Foundations of Molecular Modeling and Simulation - Select Papers from FOMMS 2015 (Hardcover, 1st ed. 2016): Randall Q. Snurr,... Foundations of Molecular Modeling and Simulation - Select Papers from FOMMS 2015 (Hardcover, 1st ed. 2016)
Randall Q. Snurr, Claire S. Adjiman, David A. Kofke
R3,553 Discovery Miles 35 530 Ships in 7 - 11 working days

This book is a collection of select proceedings of the FOMMS 2015 conference. FOMMS 2015 was the sixth triennial FOMMS conference showcasing applications of theory of computational quantum chemistry, molecular science, and engineering simulation. The theme of the 2015 meeting was on Molecular Modeling and the Materials Genome. This volume comprises chapters on many distinct applications of molecular modeling techniques. The content will be useful to researchers and students alike.

Practical Aspects of Computational Chemistry IV (Hardcover, 1st ed. 2016): Jerzy Leszczynski, Manoj K. Shukla Practical Aspects of Computational Chemistry IV (Hardcover, 1st ed. 2016)
Jerzy Leszczynski, Manoj K. Shukla
R4,703 Discovery Miles 47 030 Ships in 7 - 11 working days

The editors of this volume have compiled an important book that is a useful vehicle for important computational research - in the development of theoretical methodologies and their practical applications. Themes include new methodologies, state-of-the-art computational algorithms and hardware as well as new applications. This volume, Practical Aspects of Computational Chemistry IV, is part of a continuous effort by the editors to document recent progress made by eminent researchers. Most of these chapters have been collected from invited speakers from the annual international meeting: "Current Trends in Computational Chemistry" organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent Theoretical/Computational Chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Certainly, it is not possible to cover all topics related to the Computational Chemistry in a single volume but we hope that the recent contributions in the latest volume of this collection adequately highlight this important scientific area.

Molecular Structures and Structural Dynamics of Prion Proteins and Prions - Mechanism Underlying the Resistance to Prion... Molecular Structures and Structural Dynamics of Prion Proteins and Prions - Mechanism Underlying the Resistance to Prion Diseases (Hardcover, 1st ed. 2015)
Jiapu Zhang
R5,375 Discovery Miles 53 750 Ships in 7 - 11 working days

This monograph is the first easy-to-read-and-understand book on prion proteins' molecular dynamics (MD) simulations and on prions' molecular modelling (MM) constructions. It enables researchers to see what is crucial to the conformational change from normal cellular prion protein (PrPC) to diseased infectious prions (PrPSc), using MD and MM techniques. As we all know, prion diseases, caused by the body's own proteins, are invariably fatal and highly infectious neurodegenerative diseases effecting humans and almost all animals for a major public health concern. Prion contains no nucleic acids and it is a misshapen or conformation-changed protein that acts like an infectious agent; thus prion diseases are called "protein structural conformational" diseases. PrPC is predominant in -helices but PrPSc are rich in -sheets in the form as amyloid fibrils; so very amenable to be studied by MD techniques. Through MD, studies on the protein structures and the structural conversion are very important for revealing secrets of prion diseases and for structure-based drug design or discovery. Rabbits, dogs, horses and buffaloes are reported to be the few low susceptibility species to prion diseases; this book's MD studies on these species are clearly helpful to understand the mechanism underlying the resistance to prion diseases. PrP(1-120) usually has no clear molecular structures; this book also studies this unstructured region through MD and especially MM techniques from the global optimization point of view. This book is ideal for practitioners in computing of biophysics, biochemistry, biomedicine, bioinformatics, cheminformatics, materials science and engineering, applied mathematics and theoretical physics, information technology, operations research, biostatistics, etc. As an accessible introduction to these fields, this book is also ideal as a teaching material for students.

Statistical Mechanics for Engineers (Hardcover, 1st ed. 2015): Isamu Kusaka Statistical Mechanics for Engineers (Hardcover, 1st ed. 2015)
Isamu Kusaka
R3,027 Discovery Miles 30 270 Ships in 7 - 11 working days

This book provides a gentle introduction to equilibrium statistical mechanics. The particular aim is to fill the needs of readers who wish to learn the subject without a solid background in classical and quantum mechanics. The approach is unique in that classical mechanical formulation takes center stage. The book will be of particular interest to advanced undergraduate and graduate students in engineering departments.

Introduction to Quantum Mechanics - A time-dependent perspective (Paperback, 1st ed. 2007): David Tannor Introduction to Quantum Mechanics - A time-dependent perspective (Paperback, 1st ed. 2007)
David Tannor
R1,342 Discovery Miles 13 420 Ships in 12 - 17 working days

This brilliant text, a completely original manifesto, covers quantum mechanics from a time-dependent perspective in a unified way from beginning to end. Intended for upper-level undergraduate and graduate courses in quantum mechanics, this text will change the way people think about and teach about quantum mechanics in chemistry and physics departments.

High Performance Computing on Vector Systems 2009 (Hardcover, 2010 ed.): Sabine Roller, Katharina Benkert, Martin Galle,... High Performance Computing on Vector Systems 2009 (Hardcover, 2010 ed.)
Sabine Roller, Katharina Benkert, Martin Galle, Wolfgang Bez, Hiroaki Kobayashi
R3,145 Discovery Miles 31 450 Ships in 7 - 11 working days

This book covers the results of the Tera op Workbench, other projects related to High Performance Computing, and the usage of HPC installations at HLRS. The Tera op Workbench project is a collaboration between the High Performance C- puting Center Stuttgart (HLRS) and NEC Deutschland GmbH (NEC-HPCE) to s- port users in achieving their research goals using High Performance Computing. The rst stage of the Tera op Workbench project (2004-2008) concentrated on user's applications and their optimization for the former ag ship of HLRS, a - node NEC SX-8 installation. During this stage, numerous individual codes, dev- oped and maintained by researchers or commercial organizations, have been a- lyzed and optimized. Within the project, several of the codes have shown the ability to outreach the TFlop/s threshold of sustained performance. This created the pos- bility for new science and a deeper understanding of the underlying physics. The second stage of the Tera op Workbench project (2008-2012) focuses on c- rent and future trends of hardware and software developments. We observe a strong tendency to heterogeneous environments on the hardware level, while at the same time, applications become increasingly heterogeneous by including multi-physics or multi-scale effects. The goal of the current studies of the Tera op Workbench is to gain insight in the developments of both components. The overall target is to help scientists to run their application in the most ef cient and most convenient way on the hardware best suited for their purposes.

Multivalency - Concepts, Research and Applications (Hardcover): Jurriaan Huskens, Leonard J. Prins, Rainer Haag, Bart Jan Ravoo Multivalency - Concepts, Research and Applications (Hardcover)
Jurriaan Huskens, Leonard J. Prins, Rainer Haag, Bart Jan Ravoo
R2,292 R2,176 Discovery Miles 21 760 Save R116 (5%) Ships in 12 - 17 working days

Connects fundamental knowledge of multivalent interactions with current practice and state-of-the-art applications Multivalency is a widespread phenomenon, with applications spanning supramolecular chemistry, materials chemistry, pharmaceutical chemistry and biochemistry. This advanced textbook provides students and junior scientists with an excellent introduction to the fundamentals of multivalent interactions, whilst expanding the knowledge of experienced researchers in the field. Multivalency: Concepts, Research & Applications is divided into three parts. Part one provides background knowledge on various aspects of multivalency and cooperativity and presents practical methods for their study. Fundamental aspects such as thermodynamics, kinetics and the principle of effective molarity are described, and characterisation methods, experimental methodologies and data treatment methods are also discussed. Parts two and three provide an overview of current systems in which multivalency plays an important role in chemistry and biology, with a focus on the design rules, underlying chemistry and the fundamental principles of multivalency. The systems covered range from chemical/materials-based ones such as dendrimers and sensors, to biological systems including cell recognition and protein binding. Examples and case studies from biochemistry/bioorganic chemistry as well as synthetic systems feature throughout the book. Introduces students and young scientists to the field of multivalent interactions and assists experienced researchers utilising the methodologies in their work Features examples and case studies from biochemistry/bioorganic chemistry, as well as synthetic systems throughout the book Edited by leading experts in the field with contributions from established scientists Multivalency: Concepts, Research & Applications is recommended for graduate students and junior scientists in supramolecular chemistry and related fields, looking for an introduction to multivalent interactions. It is also highly useful to experienced academics and scientists in industry working on research relating to multivalent and cooperative systems in supramolecular chemistry, organic chemistry, pharmaceutical chemistry, chemical biology, biochemistry, materials science and nanotechnology.

Chemical Bonding (Paperback, 2nd Revised edition): Mark J. Winter Chemical Bonding (Paperback, 2nd Revised edition)
Mark J. Winter
R614 Discovery Miles 6 140 Ships in 10 - 15 working days

The renowned Oxford Chemistry Primers series, which provides focused introductions to a range of important topics in chemistry, has been refreshed and updated to suit the needs of today's students, lecturers, and postgraduate researchers. The rigorous, yet accessible, treatment of each subject area is ideal for those wanting a primer in a given topic to prepare them for more advanced study or research. The learning features provided, including questions at the end of every chapter and online multiple-choice questions, encourage active learning and promote understanding. Furthermore, frequent diagrams, margin notes, and glossary definitions all help to enhance a student's understanding of these essential areas of chemistry. Chemical Bonding gives a clear and succinct explanation of this fundamental topic, which underlies the structure and reactivity of all molecules, and therefore the subject of chemistry itself. Little prior knowledge or mathematical ability is assumed, making this the perfect text to introduce students to the subject.

Chemical Structure and Bonding (Paperback, 2): Roger L. DeKock, Harry B. Gray Chemical Structure and Bonding (Paperback, 2)
Roger L. DeKock, Harry B. Gray
R1,069 Discovery Miles 10 690 Ships in 12 - 17 working days

Designed for use in inorganic, physical, and quantum chemistry courses, this textbook includes numerous questions and problems at the end of each chapter and an Appendix with answers to most of the problems.

Modern Quantum Chemistry - Introduction to Advanced Electronic Structure Theory (Paperback, New edition): Attila Szabo, Neil S.... Modern Quantum Chemistry - Introduction to Advanced Electronic Structure Theory (Paperback, New edition)
Attila Szabo, Neil S. Ostlund
R373 R314 Discovery Miles 3 140 Save R59 (16%) Ships in 12 - 17 working days

Graduate-level text explains modern in-depth approaches to the calculation of the electronic structure and properties of molecules. Hartree-Fock approximation, electron pair approximation, much more. Largely self-contained, only prerequisite is solid course in physical chemistry. Over 150 exercises. 1989 edition.

Quantum Theory: A Very Short Introduction (Paperback): John Polkinghorne Quantum Theory: A Very Short Introduction (Paperback)
John Polkinghorne
R223 R184 Discovery Miles 1 840 Save R39 (17%) Ships in 10 - 15 working days

In simple language, without mathematics, this book explains the strange and exciting ideas that make the subatomic world so different from the world of the every day. It offers the general reader access to one of the greatest discoveries in the history of physics and one of the oustanding intellectual achievements of the twentieth century.

Manual for Theoretical Chemistry (Paperback): Dmitry Matyushov Manual for Theoretical Chemistry (Paperback)
Dmitry Matyushov
R1,444 Discovery Miles 14 440 Ships in 10 - 15 working days

This study guide aims at explaining theoretical concepts encountered by practitioners applying theory to molecular science. This is a collection of short chapters, a manual, attempting to walk the reader through two types of topics: (i) those that are usually covered by standard texts but are difficult to grasp and (ii) topics not usually covered, but are essential for successful theoretical research. The main focus is on the latter. The philosophy of this book is not to cover a complete theory, but instead to provide a set of simple study cases helping to illustrate main concepts. The focus is on simplicity. Each section is made deliberately short, to enable the reader to easily grasp the contents. Sections are collated in themed chapters, and the advantage is that each section can be studied separately, as an introduction to more in-depth studies. Topics covered are related to elasticity, electrostatics, molecular dynamics and molecular spectroscopy, which form the foundation for many presently active research areas such as molecular biophysics and soft matter physics. The notes provide a uniform approach to all these areas, helping the reader to grasp the basic concepts from a common set of theoretical tools.

Boron - The Fifth Element (Hardcover, 1st ed. 2015): Drahomir Hnyk, Michael McKee Boron - The Fifth Element (Hardcover, 1st ed. 2015)
Drahomir Hnyk, Michael McKee
R5,618 Discovery Miles 56 180 Ships in 7 - 11 working days

This multi-author edited volume reviews the recent developments in boron chemistry, with a particular emphasis on the contribution of computational chemistry. The contributors come from Europe, the USA and Asia. About 60% of the book concentrates on theoretical and computational themes whilst 40% is on topics of interest to experimental chemists. Specific themes covered include structure, topology, modelling and prediction, the role of boron clusters in synthetic chemistry and catalysis, as medical agents when acting as inhibitors of HIV protease and carbonic anhydrases.

Chemical Bonds - An introduction to atomic and molecular structure (Paperback, 2nd Revised edition): Harry B. Gray Chemical Bonds - An introduction to atomic and molecular structure (Paperback, 2nd Revised edition)
Harry B. Gray
R867 Discovery Miles 8 670 Ships in 12 - 17 working days

Designed for science students, this book provides an introduction to atomic and molecular structure and bonding. Following two initial chapters on atomic structure and the electronic properties of atoms and molecules, the book is largely organized according to molecule size, moving from an examination of diatomic molecules in Chapter Three to the infinitely large atomic clusters in Chapter Six.

Eco-friendly Polymer Nanocomposites - Chemistry and Applications (Hardcover, 1st ed. 2015): Vijay Kumar Thakur, Manju Kumari... Eco-friendly Polymer Nanocomposites - Chemistry and Applications (Hardcover, 1st ed. 2015)
Vijay Kumar Thakur, Manju Kumari Thakur
R4,390 R3,517 Discovery Miles 35 170 Save R873 (20%) Ships in 12 - 17 working days

This book contains precisely referenced chapters, emphasizing environment-friendly polymer nanocomposites with basic fundamentals, practicality and alternatives to traditional nanocomposites through detailed reviews of different environmental friendly materials procured from different resources, their synthesis and applications using alternative green approaches. The book aims at explaining basics of eco-friendly polymer nanocomposites from different natural resources and their chemistry along with practical applications which present a future direction in the biomedical, pharmaceutical and automotive industry. The book attempts to present emerging economic and environmentally friendly polymer nanocomposites that are free from side effects studied in the traditional nanocomposites. This book is the outcome of contributions by many experts in the field from different disciplines, with various backgrounds and expertises. This book will appeal to researchers as well as students from different disciplines. The content includes industrial applications and will fill the gap between the research works in laboratory to practical applications in related industries.

Molecular Electronic-Structure Theory (Paperback): Trygve Helgaker, Poul Jorgensen, Jeppe Olsen Molecular Electronic-Structure Theory (Paperback)
Trygve Helgaker, Poul Jorgensen, Jeppe Olsen
R2,333 Discovery Miles 23 330 Ships in 7 - 11 working days

"Ab initio" quantum chemistry has emerged as an important tool in chemical research and is applied to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods.

This is the first comprehensive up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: Second quantization with spin adaptationGaussian basis sets and molecular-integral evaluationHartree-Fock theoryConfiguration-interaction and multi-configurational self-consistent theoryCoupled-cluster theory for ground and excited statesPerturbation theory for single- and multi-configuration statesLinear-scaling techniques and the fast multiple methodExplicitly correlated wave functionsBasis-set convergence and extrapolationCalibration and benchmarking of computational methods, with applications to molecular equilibrium structures, atomization energies and reaction enthalpies.

"Molecular Electronic-Structure" Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions.

This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of "ab initio" molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.

Multi-scale Quantum Models for Biocatalysis - Modern Techniques and Applications (Hardcover, 2009 ed.): Darrin M. York,... Multi-scale Quantum Models for Biocatalysis - Modern Techniques and Applications (Hardcover, 2009 ed.)
Darrin M. York, Tai-Sung Lee
R9,689 Discovery Miles 96 890 Ships in 7 - 11 working days

Multi-scale Quantum Models for Biocatalysis explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics.

This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes.

This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas."

Chemical Modelling - Volume 14 (Hardcover): Michael Springborg, Jan-Ole Joswig Chemical Modelling - Volume 14 (Hardcover)
Michael Springborg, Jan-Ole Joswig
R9,374 Discovery Miles 93 740 Ships in 7 - 11 working days

Chemical modelling covers a wide range of hot topics and active areas in computational chemistry and related fields. With the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in these areas. Containing both comprehensive and critical reviews, this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling.

Atomic Structure and Chemical Bond - A Problem Solving Approach (Paperback): Manas Chanda Atomic Structure and Chemical Bond - A Problem Solving Approach (Paperback)
Manas Chanda
R1,034 R895 Discovery Miles 8 950 Save R139 (13%) Ships in 12 - 17 working days

Covering most of the topics taught in university courses in quantum chemistry, this authoritative text provides modern concepts of atomic and molecular structure as well as chemical bond. Brief historical account of the origin of quantum theory, its applications to the problem of atomic spectra and atomic structure have been discussed. Electronic configuration of atoms based on the four-quantum-number system, symbols for atomic states, and classification of elements and their distribution in the periodic table have been given a comprehensive treatment. Postulates of quantum mechanics, quantum-mechanical operators, Hamiltonian operator, derivation of Schroedinger equation, its application to particle-in-a-box and to the hydrogen atom, quantization of energy levels, uncertainty principle, probability distribution functions, angular and radial wave functions, nodal properties, sectional and charge-cloud representation of atomic orbitals, etc., have been covered in detail. The valence bond and molecular orbital methods of bonding, hybridization, orbital structure of common hydrocarbons, bonding in coordination compounds based on valence bond and ligand field theories, the concept of valency, ionic and covalent bonding, bonding in metals, secondary bond forces, and so on have been discussed in a reasonable amount of detail. A unique feature of the book is the adoption of a problem solving approach. Thus, while the text has been frequently interspersed with numerous fully worked out illustrative examples to help the concepts and theories, a large number of fully solved problems have been appended at the end of each chapter (totalling nearly 300). With its lucid style and in-depth coverage, the book would be immensely useful to undergraduate and postgraduate students of general chemistry and quantum chemistry. Students of physics and materials science would also find the book an invaluable supplement.

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