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

Progress in Quantum Chemistry Research (Hardcover, Illustrated Ed): Erik O. Hoffman Progress in Quantum Chemistry Research (Hardcover, Illustrated Ed)
Erik O. Hoffman
R4,968 R4,517 Discovery Miles 45 170 Save R451 (9%) Ships in 12 - 17 working days

This book presents new and important research from around the world in quantum chemistry which is a branch of theoretical chemistry. Quantum chemistry applies quantum mechanics and quantum field theory to address issues and problems in chemistry. The description of the electronic behaviour of atoms and molecules as pertaining to their reactivity is one of the applications of quantum chemistry. Quantum chemistry lies on the border between chemistry and physics, and significant contributions have been made by scientists from both fields. It has a strong and active overlap with the field of atomic physics and molecular physics, as well as physical chemistry.

State-to-State Dynamical Research in the F+H2 Reaction System (Paperback, 2014 ed.): Zefeng Ren State-to-State Dynamical Research in the F+H2 Reaction System (Paperback, 2014 ed.)
Zefeng Ren
R1,733 Discovery Miles 17 330 Ships in 10 - 15 working days

This thesis addresses two important and also challenging issues in the research of chemical reaction dynamics of F+H2 system. One is to probe the reaction resonance and the other is to determine the extent of the breakdown of the Born-Oppenheimer approximation (BOA) experimentally. The author introduces a state-of-the-art crossed molecular beam-scattering apparatus using a hydrogen atom Rydberg "tagging" time-of-flight method, and presents thorough state-to-state experimental studies to address the above issues. The author also describes the observation of the Feshbach resonance in the F+H2 reaction, a precise measurement of the differential cross section in the F+HD reaction, and validation of a new accurate potential energy surface with spectroscopic accuracy. Moreover, the author determines the reactivity ratio between the ground state F(2P3/2) and the excited state F*(2P1/2) in the F+D2 reaction, and exploits the breakdown of BOA in the low collision energy.

Schrodinger In Oxford (Paperback): David Charles Clary Schrodinger In Oxford (Paperback)
David Charles Clary
R1,037 R930 Discovery Miles 9 300 Save R107 (10%) Ships in 12 - 17 working days

'Clary's account makes for fascinating reading, not least because of its clear style and copious citation of primary sources and original scientific articles. The author provides a compelling narrative of ... Schroedinger's departure in 1933 from a highly eminent position at the University of Berlin to a precarious, untenured position at Magdalen College ... with political and scientific considerations deftly woven together.' [Read Full Review]ScienceErwin Schroedinger was one of the greatest scientists of all time but it is not widely known that he was a Fellow at Magdalen College, Oxford in the 1930s. This book is an authoritative account of Schroedinger's time in Oxford by Sir David Clary, an expert on quantum chemistry and a former President of Magdalen College, who describes Schroedinger's remarkable life and scientific contributions in a language that can be understood by all. Through access to many unpublished manuscripts, the author reveals in unprecedented detail the events leading up to Schroedinger's sudden departure from Berlin in 1933, his arrival in Oxford and award of the Nobel Prize, his dramatic escape from the Nazis in Austria to return to Oxford, and his urgent flight from Belgium to Dublin at the start of the Second World War.The book presents many acute observations from Schroedinger's wife Anny and his daughter Ruth, who was born in Oxford and became an acquaintance of the author in the last years of her life. It also includes a remarkable letter sent to Schroedinger in Oxford from Adolf Hitler, thanking him for his services to the state as a professor in Berlin. Schroedinger's intense interactions with other great scientists who were also refugees during this period, including Albert Einstein and Max Born, are examined in the context of the chaotic political atmosphere of the time. Fascinating anecdotes of how this flamboyant Austrian scientist interacted with the President and Fellows of a highly traditional Oxford College in the 1930s are a novel feature of the book.A gripping and intimate narrative of one of the most colourful scientists in history, Schroedinger in Oxford explains how his revolutionary breakthrough in quantum mechanics has become such a central feature in 21st century science.

Structural & Mechanical Behavior of Glassy Polymers (Hardcover, Uk Ed.): M.S. Arzhakov, Gennadi i Efremovich Zaikov, S A... Structural & Mechanical Behavior of Glassy Polymers (Hardcover, Uk Ed.)
M.S. Arzhakov, Gennadi i Efremovich Zaikov, S A Arzhakov
R3,040 Discovery Miles 30 400 Ships in 12 - 17 working days

Structural & Mechanical Behavior Of Glassy Polymers

Solving Ordinary Differential Equations II - Stiff and Differential-Algebraic Problems (Paperback, 2nd ed. 1996): Ernst Hairer,... Solving Ordinary Differential Equations II - Stiff and Differential-Algebraic Problems (Paperback, 2nd ed. 1996)
Ernst Hairer, Gerhard Wanner
R6,605 Discovery Miles 66 050 Ships in 10 - 15 working days

The subject of this book is the solution of stiff differential equations and of differential-algebraic systems. This second edition contains new material including new numerical tests, recent progress in numerical differential-algebraic equations, and improved FORTRAN codes.

From the reviews:

"A superb book...Throughout, illuminating graphics, sketches and quotes from papers of researchers in the field add an element of easy informality and motivate the text." --MATHEMATICS TODAY

Self-organized Motion - Physicochemical Design based on Nonlinear Dynamics (Hardcover): Satoshi Nakata, Veronique Pimienta,... Self-organized Motion - Physicochemical Design based on Nonlinear Dynamics (Hardcover)
Satoshi Nakata, Veronique Pimienta, Istvan Lagzi, Hiroyuki Kitahata, Nobuhiko J Suematsu
R5,702 Discovery Miles 57 020 Ships in 12 - 17 working days

Self-propelled objects (particles, droplets) are autonomous agents that can convert energy from the environment into motion. These motions include nonlinear behaviour such as oscillations, synchronization, bifurcation, and pattern formation. In recent years, there has been much interest in self-propelled objects for their potential role in mass transport or their use as carriers in confined spaces. An improved understanding of self-organized motion has even allowed researchers to design objects for specific motion. This book gives an overview of the principles of self-propelled motion in chemical objects (particles, droplets) far from their thermodynamic equilibrium, at various spatial scales. Theoretical aspects, the characteristics of the motion and the design procedures of such systems are discussed from the viewpoint of nonlinear dynamics and examples of applications for these nonlinear systems are provided. This book is suitable for researchers and graduate students interested in physical and theoretical chemistry as well as soft matter.

Schrodinger In Oxford (Hardcover): David Charles Clary Schrodinger In Oxford (Hardcover)
David Charles Clary
R2,606 Discovery Miles 26 060 Ships in 10 - 15 working days

'Clary's account makes for fascinating reading, not least because of its clear style and copious citation of primary sources and original scientific articles. The author provides a compelling narrative of ... Schroedinger's departure in 1933 from a highly eminent position at the University of Berlin to a precarious, untenured position at Magdalen College ... with political and scientific considerations deftly woven together.' [Read Full Review]ScienceErwin Schroedinger was one of the greatest scientists of all time but it is not widely known that he was a Fellow at Magdalen College, Oxford in the 1930s. This book is an authoritative account of Schroedinger's time in Oxford by Sir David Clary, an expert on quantum chemistry and a former President of Magdalen College, who describes Schroedinger's remarkable life and scientific contributions in a language that can be understood by all. Through access to many unpublished manuscripts, the author reveals in unprecedented detail the events leading up to Schroedinger's sudden departure from Berlin in 1933, his arrival in Oxford and award of the Nobel Prize, his dramatic escape from the Nazis in Austria to return to Oxford, and his urgent flight from Belgium to Dublin at the start of the Second World War.The book presents many acute observations from Schroedinger's wife Anny and his daughter Ruth, who was born in Oxford and became an acquaintance of the author in the last years of her life. It also includes a remarkable letter sent to Schroedinger in Oxford from Adolf Hitler, thanking him for his services to the state as a professor in Berlin. Schroedinger's intense interactions with other great scientists who were also refugees during this period, including Albert Einstein and Max Born, are examined in the context of the chaotic political atmosphere of the time. Fascinating anecdotes of how this flamboyant Austrian scientist interacted with the President and Fellows of a highly traditional Oxford College in the 1930s are a novel feature of the book.A gripping and intimate narrative of one of the most colourful scientists in history, Schroedinger in Oxford explains how his revolutionary breakthrough in quantum mechanics has become such a central feature in 21st century science.

Molekulare Theoretische Chemie - Eine Einfuhrung (German, Paperback, 1. Aufl. 2015): Lutz Zulicke Molekulare Theoretische Chemie - Eine Einfuhrung (German, Paperback, 1. Aufl. 2015)
Lutz Zulicke
R1,850 Discovery Miles 18 500 Ships in 12 - 17 working days

Das Werk gibt eine in sich geschlossene einfuhrende Darstellung der Grundlagen und Methoden zur theoretischen Beschreibung molekularer Strukturen und Prozesse sowie ihrer Anwendung auf Probleme der Chemie. Neben den traditionellen Kerngebieten Quantenchemie und Reaktionsdynamik werden Verfahren zur Modellbildung, praktischen Berechnung bzw. Computersimulation komplexer molekularer Systeme behandelt. Der Umfang ist so gefasst, dass damit der Stoff nicht nur fur einen Basiskurs Theoretische Chemie im Rahmen der Chemieausbildung, sondern auch fur anschliessende vertiefende Studien zur Verfugung steht. Anschlussstellen fur den Einstieg in die aktuelle Forschung und fur den Einsatz theoretisch-chemischer Methoden in Nachbargebieten (Molekulspektroskopie, Biochemie u. a.) werden aufgezeigt.

Napoleon'S Buttons - How 17 Molecules Changed History (Paperback): Penny Le Couteur, Jay Burreson Napoleon'S Buttons - How 17 Molecules Changed History (Paperback)
Penny Le Couteur, Jay Burreson 1
R538 R504 Discovery Miles 5 040 Save R34 (6%) Ships in 10 - 15 working days

Considers that Napoleon's 1812 Russian campaign may have failed because cold temperatures caused his army's tin buttons to disintegrate, identifying other important moments and traditions in history that were influenced by molecular properties. Reprint. 25,000 first printing.

Lecture Notes in Quantum Chemistry - European Summer School in Quantum Chemistry (Paperback, 1st ed. 1992. 2nd printing 1997):... Lecture Notes in Quantum Chemistry - European Summer School in Quantum Chemistry (Paperback, 1st ed. 1992. 2nd printing 1997)
Bjoern O. Roos
R4,160 Discovery Miles 41 600 Ships in 10 - 15 working days

"Quantum Chemistry" is the course material of a European Summer School in Quantum Chemistry, organized by Bj-rn O. Roos. It consists of lectures by outstanding scientists who participate in the education of students and young scientists. The book has a wider appeal as additional reading for University courses. Contents: P.-A. Malmquist: Mathematical Tools in Quantum Chemistry J. Olsen: The Method of Second Quantization P.R. Taylor: Molecular Symmetry and Quantum Chemistry B.O. Roos: The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory P.E.M. Siegbahn: The Configuration Interaction Method T. Helgaker: Optimization of Minima and Saddle Points P.R. Taylor: Accurate Calculations and Calibration U. Wahlgren: Effective Core Potential Method

Handbook of Molecular Physics & Quantum Chemistry 3V Set (Hardcover): S. Wilson Handbook of Molecular Physics & Quantum Chemistry 3V Set (Hardcover)
S. Wilson
R42,682 Discovery Miles 426 820 Ships in 12 - 17 working days

Published in three volumes, this comprehensive reference work brings together in a single source for the first time, a detailed presentation of the most important theoretical concepts and methods for the study of molecules and molecular systems.

The logical format of the Handbook allows the reader to progress from the foundations of the field to the most important and exciting areas of current research. Edited and written by an outstanding international team, and containing over 100 articles written by more than 50 contributors, it will be invaluable for both the expert researcher and the graduate student or postdoctoral worker active in any of the broad range of fields where these concepts and methods are important.

Comprises three themed volumes:

  • Fundamentals
  • Molecular Electronic Structure
  • Molecules in the Physico-Chemical Environment: Spectroscopy, Dynamics and Bulk Properties
  • Presents detailed articles covering the key topics, presented in a didactic manner
  • Focuses both on theory and the relation of experiment to theory

Volume 1, Fundamentals presents the foundations of molecular physics and quantum chemistry. It consists of 7 parts arranged as follows:-

Part 1 Introduction

Part 2 Elements of Quantum Mechanics

Part 3 Orbital Models for Atomic, Molecular and Crystal Structure

Part 4 Symmetry Groups and Molecular Structure

Part 5 Second Quantization and Many-Body Methods

Part 6 Approximate Separation of Electronic and Nuclear Motion

Part 7 Quantum Electrodynamics of Atoms and Molecules

The central problem of molecular physics and quantum chemistry is the description of atomic and molecular electronic structure. The development of appropriate models for the description of the effects of electron

correlation and of relativity are key components of the analysis. Volume 2, Molecular Electronic Structure, addresses these topics, and consists of 7 parts arranged as follows:

Part 1 Approximation methods

Part 2 Orbital Models and Generalized Product Functions

Part 3 Electron correlation

Part 4 Relativistic molecular electronic structure

Part 5 Electronic structure of large molecules

Part 6 Computational quantum chemistry

Part 7 Visualization and interpretation of molecular electronic structure

In reality no molecular system exists in isolation. Molecules interact with other atoms and molecules, and with their environment. Volume 3, Molecules in the Physico-Chemical Environment - Spectroscopy, Dynamics and Bulk Properties, consists of 7 parts arranged as follows:-

Part 1 Response theory and propagator methods

Part 2 Interactions between molecules

Part 3 Molecules in different environments

Part 4 Molecular Electronic spectra

Part 5 Atomic Spectroscopy and Molecular Vibration-Rotation Spectroscopy

Part 6 Molecular dynamics and dynamical processes

Part 7 Bulk properties

Computational Physics - Simulation of Classical and Quantum Systems (Hardcover, 2nd ed. 2013): Philipp Scherer Computational Physics - Simulation of Classical and Quantum Systems (Hardcover, 2nd ed. 2013)
Philipp Scherer
R2,107 R1,174 Discovery Miles 11 740 Save R933 (44%) Ships in 9 - 15 working days

This textbook presents basic and advanced computational physics in a very didactic style. It contains very-well-presented and simple mathematical descriptions of many of the most important algorithms used in computational physics. The first part of the book discusses the basic numerical methods. The second part concentrates on simulation of classical and quantum systems. Several classes of integration methods are discussed including not only the standard Euler and Runge Kutta method but also multi-step methods and the class of Verlet methods, which is introduced by studying the motion in Liouville space. A general chapter on the numerical treatment of differential equations provides methods of finite differences, finite volumes, finite elements and boundary elements together with spectral methods and weighted residual based methods. The book gives simple but non trivial examples from a broad range of physical topics trying to give the reader insight into not only the numerical treatment but also simulated problems. Different methods are compared with regard to their stability and efficiency. The exercises in the book are realised as computer experiments.

Dihydrogen Bonds - Principles, Experiments, and Applications (Hardcover): VI Bakhmutov Dihydrogen Bonds - Principles, Experiments, and Applications (Hardcover)
VI Bakhmutov
R4,504 Discovery Miles 45 040 Ships in 12 - 17 working days

This definitive reference consolidates current knowledge on dihydrogen bonding, emphasizing its role in organizing interactions in different chemical reactions and molecular aggregations. After an overview, it analyzes the differences between dihydrogen bonds, classical hydrogen bonds, and covalent bonds. It describes dihydrogen bonds as intermediates in intramolecular and intermolecular proton transfer reactions. It describes dihydrogen bonding in the solid-state, the gas phase, and in solution. This is the premier reference for physical chemists, biochemists, biophysicists, and chemical engineers.

Organic Reactions v90 (Hardcover, Volume 90): S.E. Denmark Organic Reactions v90 (Hardcover, Volume 90)
S.E. Denmark
R6,418 Discovery Miles 64 180 Ships in 12 - 17 working days

The latest volume in this series for organic chemists in industry presents critical discussions of widely used organic reactions or particular phases of a reaction. The material is treated from a preparative viewpoint, with emphasis on limitations, interfering influences, effects of structure and the selection of experimental techniques. The work includes tables that contain all possible examples of the reaction under consideration. Detailed procedures illustrate the significant modifications of each method.

Generalisierte Markov-Modellierung - Modellierung Irreversibler ?-Amyloid-Peptid-Dynamik Unter Mikrowelleneinfluss (German,... Generalisierte Markov-Modellierung - Modellierung Irreversibler β-Amyloid-Peptid-Dynamik Unter Mikrowelleneinfluss (German, Paperback, 1. Aufl. 2020 ed.)
Bernhard Reuter
R1,230 Discovery Miles 12 300 Ships in 10 - 15 working days
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
R2,042 Discovery Miles 20 420 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.

Introduction to Molecular Symmetry (Paperback): J.S. Ogden Introduction to Molecular Symmetry (Paperback)
J.S. Ogden
R992 Discovery Miles 9 920 Ships in 12 - 17 working days

This Primer presents an introduction to molecular symmetry and point groups with an emphasis on their applications. The author has adopted a non-mathematical approach as far as possible. The text is based on a successful course given by the author.

Quantum Mechanics (A Ladybird Expert Book) (Hardcover): Jim Al-Khalili Quantum Mechanics (A Ladybird Expert Book) (Hardcover)
Jim Al-Khalili 1
R230 R208 Discovery Miles 2 080 Save R22 (10%) Ships in 9 - 15 working days

What is quantum mechanics? Learn from the experts in the ALL-NEW LADYBIRD EXPERT SERIES A clear, simple and entertaining introduction to the weird, mind-bending world of the very, very small. Written by physicist and broadcaster Professor Jim Al-Khalili, Quantum Mechanics explores all the key players, breakthroughs, controversies and unanswered questions of the quantum world. You'll discover: - How the sun shines - Why light is both a wave and a particle - The certainty of the Uncertainty Principle - Schrodinger's Cat - Einstein's spooky action - How to build a quantum computer - Why quantum mechanics drives even its experts completely crazy 'Jim Al-Khalili has done an admirable job of condensing the ideas of quantum physics from Max Planck to the possibilities of quantum computers into brisk, straightforward English' THE TIMES Learn about other topics in the Ladybird Experts series including The Big Bang, Gravity, Climate Change and Evolution. Written by the leading lights and most outstanding communicators in their fields, the Ladybird Expert books provide clear, accessible and authoritative introductions to subjects drawn from science, history and culture. For an adult readership, the Ladybird Expert series is produced in the same iconic small format pioneered by the original Ladybirds. Each beautifully illustrated book features the first new illustrations produced in the original Ladybird style for nearly forty years.

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
R972 Discovery Miles 9 720 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.

Quantitative Rechenverfahren Der Theoretischen Chemie - Ein Einstieg in Hartree-Fock, Configuration Interaction Und... Quantitative Rechenverfahren Der Theoretischen Chemie - Ein Einstieg in Hartree-Fock, Configuration Interaction Und Dichtefunktionale (German, Paperback, 1. Aufl. 2017 ed.)
Daniel Puschner
R540 Discovery Miles 5 400 Ships in 10 - 15 working days
Chemistry Flash Cards - a QuickStudy Reference Tool (Cards): Mark Jackson Chemistry Flash Cards - a QuickStudy Reference Tool (Cards)
Mark Jackson
R575 Discovery Miles 5 750 Ships in 12 - 17 working days

QuickStudy Chemistry Flash Cards contain 1,000 cards and covers:

elements, symbols & names

families of elements

ion names & formulas

compound names & formulas

molecular geometries

and much more

Quantum Theory: A Very Short Introduction (Paperback): John Polkinghorne Quantum Theory: A Very Short Introduction (Paperback)
John Polkinghorne
R285 R256 Discovery Miles 2 560 Save R29 (10%) Ships in 9 - 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.

Atomic Charges, Bond Properties, and Molecular Energies (Hardcover): S. Fliszar Atomic Charges, Bond Properties, and Molecular Energies (Hardcover)
S. Fliszar
R3,252 Discovery Miles 32 520 Ships in 12 - 17 working days

The first book to cover conceptual quantum chemistry, "Atomic Charges, Bond Properties, and Molecular Energies" deftly explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies, which are relevant in reactivity problems. This unique first-hand, self-contained presentation develops relatively uncomplicated but physically meaningful approaches to molecular properties by providing derivations of all the required formulas from scratch, developed in Professor Fliszar's laboratory. This book is vitally relevant to organic- and biochemists, molecular biologists, materials scientists, and nanoscientists.

Molecular Physical Chemistry - A Concise Introduction (Paperback): Keith A. McLauchlan Molecular Physical Chemistry - A Concise Introduction (Paperback)
Keith A. McLauchlan
R788 Discovery Miles 7 880 Ships in 12 - 17 working days

Molecular Physical Chemistry: A Concise Introduction focuses on two main aspects of physical chemistry: thermodynamics and reaction dynamics. By looking at the properties of the atoms and molecules that constitute matter, it makes use of results from modern experiments conducted on small numbers of molecules. These molecular properties allow the behaviour of larger groups of molecules to be predicted. This is in contrast to conventional approaches which are based upon how the subjects have developed historically. It attempts to show how some basic concepts can be easily applied to give verifiable results in simple systems before extending them to more complicated scenarios. The text is intended as an aid to understanding these central topics of physical chemistry, rather than an introduction to them, and some familiarity with them is assumed throughout. Worked examples and problems are given at the end of each chapter. Molecular Physical Chemistry: A Concise Introduction will be welcomed by graduate and advanced undergraduate students, as well as lecturers. Upon completion of this book the reader will see its subject matter as an integral part of their whole approach to chemistry. "Professor McLauchlin is certainly owed a debt of gratitude by the chemical community for this effort to bring enjoyment and understanding to the future generation. It will be interesting to see if this experiment helps students replace the fear of physical chemistry by an appreciation of its power and beauty." Professor William Klemperer, University of Harvard

Quantentheorie Der Molekule - Eine Einfuhrung (German, Paperback, 5th 5., Uberarb. Aufl. 2015 ed.): Joachim Reinhold Quantentheorie Der Molekule - Eine Einfuhrung (German, Paperback, 5th 5., Uberarb. Aufl. 2015 ed.)
Joachim Reinhold
R1,788 Discovery Miles 17 880 Ships in 10 - 15 working days
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