0
Your cart

Your cart is empty

Browse All Departments
Price
  • R100 - R250 (2)
  • R250 - R500 (3)
  • R500+ (1,130)
  • -
Status
Format
Author / Contributor
Publisher

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

Recent Advances of the Fragment Molecular Orbital Method - Enhanced Performance and Applicability (Hardcover, 1st ed. 2021):... Recent Advances of the Fragment Molecular Orbital Method - Enhanced Performance and Applicability (Hardcover, 1st ed. 2021)
Yuji Mochizuki, Shigenori Tanaka, Kaori Fukuzawa
R3,166 Discovery Miles 31 660 Ships in 12 - 19 working days

This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts. The FMO method is a promising way to calculate large-scale molecular systems such as proteins in a quantum mechanical framework. The highly efficient parallelism deserves being considered the principal advantage of FMO calculations. Additionally, the FMO method can be employed as an analysis tool by using the inter-fragment (pairwise) interaction energies, among others, and this feature has been utilized well in biophysical and pharmaceutical chemistry. In recent years, the methodological developments of FMO have been remarkable, and both reliability and applicability have been enhanced, in particular, for non-bio problems. The current trend of the parallel computing facility is of the many-core type, and adaptation to modern computer environments has been explored as well. In this book, a historical review of FMO and comparison to other methods are provided in Part I (two chapters) and major FMO programs (GAMESS-US, ABINIT-MP, PAICS and OpenFMO) are described in Part II (four chapters). dedicated to pharmaceutical activities (twelve chapters). A variety of new applications with methodological breakthroughs are introduced in Part IV (six chapters). Finally, computer and information science-oriented topics including massively parallel computation and machine learning are addressed in Part V (six chapters). Many color figures and illustrations are included. Readers can refer to this book in its entirety as a practical textbook of the FMO method or read only the chapters of greatest interest to them.

Density-Functional Methods in Chemistry & Materials Science (Hardcover): M. Springborg Density-Functional Methods in Chemistry & Materials Science (Hardcover)
M. Springborg
R12,162 Discovery Miles 121 620 Ships in 12 - 19 working days

Used in materials science, physical chemistry and physics, density functional methods provide a unifying description of electronic properties applicable to all materials while also giving specific information on the system under study. A large number of very different materials and systems (atoms, molecules, macromolecules, clusters, bulk solids, surfaces and interfaces) are presently being studied with methods based on density functional formalism. Density Functional Methods in Chemistry and Materials Science reports the results of this research. This book will be of particular interest to those research materials science from a theoretical standpoint. This work will demonstrate how the formalism has become a methodology leading to useful information on structural and electronic properties of a broad range of materials.

Computational Methods in Physics - Compendium for Students (Hardcover, 2nd ed. 2018): Simon Sirca, Martin Horvat Computational Methods in Physics - Compendium for Students (Hardcover, 2nd ed. 2018)
Simon Sirca, Martin Horvat
R3,568 R3,377 Discovery Miles 33 770 Save R191 (5%) Ships in 9 - 17 working days

This book is intended to help advanced undergraduate, graduate, and postdoctoral students in their daily work by offering them a compendium of numerical methods. The choice of methods pays significant attention to error estimates, stability and convergence issues, as well as optimization of program execution speeds. Numerous examples are given throughout the chapters, followed by comprehensive end-of-chapter problems with a more pronounced physics background, while less stress is given to the explanation of individual algorithms. The readers are encouraged to develop a certain amount of skepticism and scrutiny instead of blindly following readily available commercial tools. The second edition has been enriched by a chapter on inverse problems dealing with the solution of integral equations, inverse Sturm-Liouville problems, as well as retrospective and recovery problems for partial differential equations. The revised text now includes an introduction to sparse matrix methods, the solution of matrix equations, and pseudospectra of matrices; it discusses the sparse Fourier, non-uniform Fourier and discrete wavelet transformations, the basics of non-linear regression and the Kolmogorov-Smirnov test; it demonstrates the key concepts in solving stiff differential equations and the asymptotics of Sturm-Liouville eigenvalues and eigenfunctions. Among other updates, it also presents the techniques of state-space reconstruction, methods to calculate the matrix exponential, generate random permutations and compute stable derivatives.

Chemical Bonds - A Dialog (Paperback): J. K. Burdett Chemical Bonds - A Dialog (Paperback)
J. K. Burdett
R3,563 Discovery Miles 35 630 Ships in 12 - 19 working days

This series reflects the breadth of modern research in inorganic chemistry and fulfils the need for advanced texts. The series covers the whole range of inorganic and physical chemistry, solid state chemistry, coordination chemistry, main group chemistry and bioinorganic chemistry.

Understanding the nature of the chemical bond is the key to understanding all chemistry, be it inorganic, physical, organic or biochemistry. In the form of a question and answer tutorial the fundamental concepts of chemical bonding are explored. These range from the nature of the chemical bond, via the regular hexagonal structure of benzene and the meaning of the term ‘metallic bond’, to d-orbital involvement in hypervalent compounds and the structure of N2O. Chemical Bonds: A Dialog provides

  • a novel format in terms of a dialog between two scientists
  • insights into many key questions concerning chemical bonds
  • an orbital approach to quantum chemistry
Theoretical and Quantum Chemistry at the Dawn of the 21st Century (Hardcover): Tanmoy Chakraborty, Ramon Carbo-Dorca Theoretical and Quantum Chemistry at the Dawn of the 21st Century (Hardcover)
Tanmoy Chakraborty, Ramon Carbo-Dorca
R4,820 Discovery Miles 48 200 Ships in 12 - 19 working days

This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.

Small Systems and Fundamentals of Thermodynamics (Hardcover): Yu.K. Tovbin Small Systems and Fundamentals of Thermodynamics (Hardcover)
Yu.K. Tovbin
R6,751 Discovery Miles 67 510 Ships in 12 - 19 working days

Small systems are a very active area of research and development due to improved instrumentation that allows for spatial resolution in the range of sizes from one to 100 nm. In this size range, many physical and chemical properties change, which opens up new approaches to the study of substances and their practical application. This affects both traditional fields of knowledge and many other new fields including physics, chemistry, biology, etc. This book highlights new developments in statistical thermodynamics that answer the most important questions about the specifics of small systems - when one cannot apply equations or traditional thermodynamic models.

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
R894 R755 Discovery Miles 7 550 Save R139 (16%) Ships in 9 - 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.

Computer Meets Theoretical Physics - The New Frontier of Molecular Simulation (Hardcover, 1st ed. 2020): Giovanni Battimelli,... Computer Meets Theoretical Physics - The New Frontier of Molecular Simulation (Hardcover, 1st ed. 2020)
Giovanni Battimelli, Giovanni Ciccotti, Pietro Greco; Translated by Giuliana Giobbi
R1,408 R1,161 Discovery Miles 11 610 Save R247 (18%) Ships in 10 - 15 working days

This book provides a vivid account of the early history of molecular simulation, a new frontier for our understanding of matter that was opened when the demands of theoretical physicists were met by the availability of the modern computers. Since their inception, electronic computers have enormously increased their performance, thus making possible the unprecedented technological revolution that characterizes our present times. This obvious technological advancement has brought with it a silent scientific revolution in the practice of theoretical physics. In particular, in the physics of matter it has opened up a direct route from the microscopic physical laws to observable phenomena. One can now study the time evolution of systems composed of millions of molecules, and simulate the behaviour of macroscopic materials and actually predict their properties. Molecular simulation has provided a new theoretical and conceptual tool that physicists could only dream of when the foundations of statistical mechanics were laid. Molecular simulation has undergone impressive development, both in the size of the scientific community involved and in the range and scope of its applications. It has become the ubiquitous workhorse for investigating the nature of complex condensed matter systems in physics, chemistry, materials and the life sciences. Yet these developments remain largely unknown outside the inner circles of practitioners, and they have so far never been described for a wider public. The main objective of this book is therefore to offer a reasonably comprehensive reconstruction of the early history of molecular simulation addressed to an audience of both scientists and interested non-scientists, describing the scientific and personal trajectories of the main protagonists and discussing the deep conceptual innovations that their work produced.

Molekulphysik und Quantenchemie - Einfuhrung in die experimentellen und theoretischen Grundlagen (German, Hardcover, 5.,... Molekulphysik und Quantenchemie - Einfuhrung in die experimentellen und theoretischen Grundlagen (German, Hardcover, 5., voellig neu bearb. u. erw. Aufl. 2006)
Hermann Haken, Hans C. Wolf
R2,429 Discovery Miles 24 290 Ships in 12 - 19 working days

Molekulphysik und Quantenchemie fuhrt systematisch und leicht zuganglich in die Grundlagen der beiden Gebiete ein, wie es zum Verstandnis der physikalischen Eigenschaften von Molekulen und der chemischen Bindung erforderlich ist. Aufbauend auf Grundkenntnissen aus der Atom- und Quantenphysik (von den gleichen Autoren) vermittelt es den Studenten der Physik, der Physikalischen Chemie und der Theoretischen Chemie die experimentellen und theoretischen Grundlagen und deren Wechselwirkung. Die vorliegende funfte Auflage wurde um wesentliche aktuelle Entwicklungen experimenteller Methoden und theoretischer Ansatze erweitert. Neu: Abschnitte zu Molekularen Funktionseinheiten, zu Optischer Spektroskopie und Elektrolumineszenz. Durchgehende uberarbeitete Neuauflage. 133 Aufgaben vervollstandigen das Buch. Die dazugehorigen Losungen konnen im Internet abgerufen werden."

A Different Thermodynamics and its True Heroes (Hardcover): Evgeni B Starikov A Different Thermodynamics and its True Heroes (Hardcover)
Evgeni B Starikov
R3,222 Discovery Miles 32 220 Ships in 12 - 19 working days

Modern thermodynamics is a unique but still not a logically self-consistent field of knowledge. It has a proven universal applicability and significance but its actual potential is still latent. The development of the foundations of thermodynamics was in effect non-stop but absolutely no one has any idea about this. This book is the first of its kind that will motivate researchers to build up a logically consistent field of thermodynamics. It greatly appreciates the actual depth and potential of thermodynamics which might also be of interest to readers in history and philosophy of scientific research. The book presents the life stories of the protagonists in detail and allows readers to cast a look at the whole scene of the field by showcasing a significant number of their colleagues whose works have fittingly complemented their achievements. It also tries to trigger a detailed analysis of the reasons why the actual work in this extremely important field has in effect gone astray. It comprises five chapters and introduces three scientists in the first two chapters, which are specifically devoted to the Scandinavian achievements in macroscopic thermodynamics. These introductions are novel and call for a detailed reconsideration of the field. The third chapter acquaints the readers with their fourth colleague in Germany who was working on the proper link between the macroscopic thermodynamics, kinetics, and the atomistic representation of matter. The fourth chapter brings in their fifth colleague in the United States who could formally infer the famous formula S = k * ln(W), ingeniously guessed by Ludwig Boltzmann, and thus clarify the physical sense of the entropy notion. The last chapter summarizes the above-mentioned discourses.

Charge and Energy Transfer Dynamics in Molecular Systems 3e (Hardcover, 3rd, Revised And Enlarged Edition): V. May Charge and Energy Transfer Dynamics in Molecular Systems 3e (Hardcover, 3rd, Revised And Enlarged Edition)
V. May
R4,542 R3,637 Discovery Miles 36 370 Save R905 (20%) Out of stock

This 3rd edition has been expanded and updated to account for recent developments, while new illustrative examples as well as an enlarged reference list have also been added. It naturally retains the successful concept of its predecessors in presenting a unified perspective on molecular charge and energy transfer processes, thus bridging the regimes of coherent and dissipative dynamics, and establishing a connection between classic rate theories and modern treatments of ultrafast phenomena.
Among the new topics are:
- Time-dependent density functional theory
- Heterogeneous electron transfer, e.g. between molecules and metal or semiconductor surfaces
- Current flows through a single molecule.
While serving as an introduction for graduate students and researchers, this is equally must-have reading for theoreticians and experimentalists, as well as an aid to interpreting experimental data and accessing the original literature.

Time-Dependent Density-Functional Theory - Concepts and Applications (Hardcover): Carsten A. Ullrich Time-Dependent Density-Functional Theory - Concepts and Applications (Hardcover)
Carsten A. Ullrich
R2,348 Discovery Miles 23 480 Ships in 12 - 19 working days

Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the computational cost. This book is the first graduate-level text on the concepts and applications of TDDFT, including many examples and exercises, and extensive coverage of the literature. The book begins with a self-contained review of ground-state DFT, followed by a detailed and pedagogical treatment of the formal framework of TDDFT. It is explained how excitation energies can be calculated from linear-response TDDFT. Among the more advanced topics are time-dependent current-density-functional theory, orbital functionals, and many-body theory. Many applications are discussed, including molecular excitations, ultrafast and strong-field phenomena, excitons in solids, van der Waals interactions, nanoscale transport, and molecular dynamics.

Molecular Basics of Liquids and Liquid-Based Materials (Paperback, 1st ed. 2021): Katsura Nishiyama, Tsuyoshi Yamaguchi,... Molecular Basics of Liquids and Liquid-Based Materials (Paperback, 1st ed. 2021)
Katsura Nishiyama, Tsuyoshi Yamaguchi, Toshiyuki Takamuku, Norio Yoshida
R5,130 Discovery Miles 51 300 Ships in 10 - 15 working days

This book sheds light on the molecular aspects of liquids and liquid-based materials such as organic or inorganic liquids, ionic liquids, proteins, biomaterials, and soft materials including gels. The reader discovers how the molecular basics of such systems are connected with their properties, dynamics, and functions. Once the use and application of liquids and liquid-based materials are understood, the book becomes a source of the latest, detailed knowledge of their structures, dynamics, and functions emerging from molecularity. The systems discussed in the book have structural dimensions varying from nanometers to millimeters, thus the precise estimation of structures and dynamics from experimental, theoretical, and simulation methods is of crucial importance. Outlines of the practical knowledge needed in research and development are helpfully included in the book.

Statistical Mechanics of Neural Networks (Paperback, 1st ed. 2021): Hai-Ping Huang Statistical Mechanics of Neural Networks (Paperback, 1st ed. 2021)
Hai-Ping Huang
R4,352 Discovery Miles 43 520 Ships in 10 - 15 working days

This book highlights a comprehensive introduction to the fundamental statistical mechanics underneath the inner workings of neural networks. The book discusses in details important concepts and techniques including the cavity method, the mean-field theory, replica techniques, the Nishimori condition, variational methods, the dynamical mean-field theory, unsupervised learning, associative memory models, perceptron models, the chaos theory of recurrent neural networks, and eigen-spectrums of neural networks, walking new learners through the theories and must-have skillsets to understand and use neural networks. The book focuses on quantitative frameworks of neural network models where the underlying mechanisms can be precisely isolated by physics of mathematical beauty and theoretical predictions. It is a good reference for students, researchers, and practitioners in the area of neural networks.

Computational Methods for Estimating the Kinetic Parameters of Biological Systems (Paperback, 1st ed. 2022): Quentin Vanhaelen Computational Methods for Estimating the Kinetic Parameters of Biological Systems (Paperback, 1st ed. 2022)
Quentin Vanhaelen
R4,405 Discovery Miles 44 050 Ships in 10 - 15 working days

This detailed book provides an overview of various classes of computational techniques, including machine learning techniques, commonly used for evaluating kinetic parameters of biological systems. Focusing on three distinct situations, the volume covers the prediction of the kinetics of enzymatic reactions, the prediction of the kinetics of protein-protein or protein-ligand interactions (binding rates, dissociation rates, binding affinities), and the prediction of relatively large set of kinetic rates of reactions usually found in quantitative models of large biological networks. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of expert implementation advice that leads to successful results. Authoritative and practical, Computational Methods for Estimating the Kinetic Parameters of Biological Systems will be of great interest for researchers working through the challenge of identifying the best type of algorithm and who would like to use or develop a computational method for the estimation of kinetic parameters.

Molecular Electronic-Structure Theory (Hardcover): TT Helgaker Molecular Electronic-Structure Theory (Hardcover)
TT Helgaker
R14,974 Discovery Miles 149 740 Ships in 12 - 19 working days

Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced 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 adaptation

  • Gaussian basis sets and molecular-integral evaluation

  • Hartree-Fock theory

  • Configuration-interaction and multi-configurational self-consistent theory

  • Coupled-cluster theory for ground and excited states

  • Perturbation theory for single- and multi-configurational states

  • Linear-scaling techniques and the fast multipole method

  • Explicity correlated wave functions

  • Basis-set convergence and extrapolation

  • Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, 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.

Molecular Symmetry & Group Theory - A Programmed Introduction to Chemical Applications 2e (Paperback, 2nd Edition): A. Vincent Molecular Symmetry & Group Theory - A Programmed Introduction to Chemical Applications 2e (Paperback, 2nd Edition)
A. Vincent
R1,010 Discovery Miles 10 100 Ships in 9 - 17 working days

The new edition of this best-selling textbook addresses the difficulties that can arise with the mathematics that underpins the study of symmetry, and acknowledges that group theory can be a complex concept for students to grasp. Molecular Symmetry and Group Theory is based around a series of programmes that help students learn at their own pace and enable them to understand the subject fully. Readers are taken through a series of carefully constructed exercises, designed to simplify the mathematics and give them a full understanding of how this relates to the chemistry. The second edition has been revised and expanded and includes a new chapter on the projection operator method. This is used to calculate the form of the normal modes of vibration of a molecule and the normalised wave functions of hybrid orbitals or molecular orbitals.
Features:

  • A concise, gentle introduction to symmetry and group theory
  • Takes a programmed learning approach
  • New material on projection operators, and the calculation of normal modes of vibration and normalised wave functions of orbitals.

Practical Aspects of Computational Chemistry V (Paperback, 1st ed. 2022): Jerzy Leszczynski, Manoj K. Shukla Practical Aspects of Computational Chemistry V (Paperback, 1st ed. 2022)
Jerzy Leszczynski, Manoj K. Shukla
R5,087 Discovery Miles 50 870 Ships in 10 - 15 working days

This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computational algorithms and their practical applications. This volume is part of a continuous effort by the editors to document recent advances by prominent researchers in the area of computational chemistry. Most of the chapters are contributed by invited speakers and participants to International annual conference "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 and computational chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Topics covered in the book include reactive force-field methodologies, coarse-grained modeling, DNA damage radiosensitizers, modeling and simulation of surfaces and interfaces, non-covalent interactions, and many others. The book is intended for theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. It is a valuable resource for undergraduate, graduate and PhD students as well as for established researchers.

Thermodynamic Equilibrium and Stability of Materials (Hardcover, 1st ed. 2022): Long-Qing Chen Thermodynamic Equilibrium and Stability of Materials (Hardcover, 1st ed. 2022)
Long-Qing Chen
R2,268 Discovery Miles 22 680 Ships in 9 - 17 working days

This is a textbook on thermodynamics of materials for junior/senior undergraduate students and first-year graduate students as well as a reference book for researchers who would like to refresh their understanding of thermodynamics. The textbook employs a plain language to explain the thermodynamic concepts and quantities. It embraces the mathematical beauty and rigor of Gibbs thermodynamics through the fundamental equation of thermodynamics from which all thermodynamic properties of a material can be derived. However, a reader with basic first-year undergraduate calculus skills will be able to get through the book without difficulty. One unique feature of this textbook is the descriptions of the step-by-step procedures for computing all the thermodynamic properties from the fundamental equation of thermodynamics and all the thermodynamic energies from a set of common, experimentally measurable thermodynamic properties, supplemented with ample numerical examples. Another unique feature of this textbook is its emphasis on the concept of chemical potential and its applications to phase equilibria in single component systems and binary solutions, chemical reaction equilibria, and lattice and electronic defects in crystals. The concept of chemical potential is introduced at the very beginning of the book together with temperature and pressure. It avoids or minimizes the use of terms such as molar Gibbs free energy, partial molar Gibbs free energy, or Gibbs potential because molar Gibbs free energy or partial molar Gibbs free energy is precisely the chemical potential of a material or a component. It is the chemical potential that determines the stability of chemical species, compounds, and phases and their tendency to chemically react to form new species, transform to new physical state, and migrate from one spatial location to another. Therefore, it is the chemical potential differences or gradients that drive essentially all materials processes of interest. A reader after finishing reading the book is expected to not only achieve a high-level fundamental understanding of thermodynamics but also acquire the analytical skills of applying thermodynamics to determining materials equilibrium and driving forces for materials processes.

Morphology and Dynamics of Bottlebrush Polymers (Paperback, 1st ed. 2021): Karin J. Bichler Morphology and Dynamics of Bottlebrush Polymers (Paperback, 1st ed. 2021)
Karin J. Bichler
R5,048 Discovery Miles 50 480 Ships in 10 - 15 working days

This thesis makes significant advances to the understanding of bottlebrush polymers. While bottlebrushes have received much attention due to the recent discovery of their unprecedented properties, including supersoftness, ultra-low viscosity, and hyperelasticity, this thesis is the first fundamental investigation at the molecular level that comprises structure and dynamics. Neutron scattering experiments, detailed within, reveal spherical or cylindrical shapes, instead of a random coil conformation. Another highlight is the analysis of the fast dynamics at the sub nm-length scale. The combination of three neutron spectrometers and the development of a new analysis technique enabled the calculation of the mean-square displacement over seven orders of magnitude in time scale. This unprecedented result can be applied to a broad class of samples, including polymers and other materials. The thesis is accessible to scientists from other fields, provides the reader with easily understandable guidelines for applying this analysis to other materials, and has the potential to make a significant impact on the analysis of neutron scattering data.

Quantum Dot Photodetectors (Paperback, 1st ed. 2021): Xin Tong, Jiang Wu, Zhiming M. Wang Quantum Dot Photodetectors (Paperback, 1st ed. 2021)
Xin Tong, Jiang Wu, Zhiming M. Wang
R5,094 Discovery Miles 50 940 Ships in 10 - 15 working days

This book presents a comprehensive overview of state-of-the-art quantum dot photodetectors, including device fabrication technologies, optical engineering/manipulation strategies, and emerging photodetectors with building blocks of novel quantum dots (e.g. perovskite) as well as their hybrid structured (e.g. 0D/2D) materials. Semiconductor quantum dots have attracted much attention due to their unique quantum confinement effect, which allows for the facile tuning of optical properties that are promising for next-generation optoelectronic applications. Among these remarkable properties are large absorption coefficient, high photosensitivity, and tunable optical spectrum from ultraviolet/visible to infrared region, all of which are very attractive and favorable for photodetection applications. The book covers both fundamental and frontier research in order to stimulate readers' interests in developing novel ideas for semiconductor photodetectors at the center of future developments in materials science, nanofabrication technology and device commercialization. The book provides a knowledge sharing platform and can be used as a reference for researchers working in the fields of photonics, materials science, and nanodevices.

Computational Chemistry (Paperback): Jeremy Harvey Computational Chemistry (Paperback)
Jeremy Harvey
R1,161 Discovery Miles 11 610 Ships in 9 - 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 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: * Multiple-choice questions for self-directed learning

Thermodynamic Equilibrium and Stability of Materials (Paperback, 1st ed. 2022): Long-Qing Chen Thermodynamic Equilibrium and Stability of Materials (Paperback, 1st ed. 2022)
Long-Qing Chen
R1,808 Discovery Miles 18 080 Ships in 10 - 15 working days

This is a textbook on thermodynamics of materials for junior/senior undergraduate students and first-year graduate students as well as a reference book for researchers who would like to refresh their understanding of thermodynamics. The textbook employs a plain language to explain the thermodynamic concepts and quantities. It embraces the mathematical beauty and rigor of Gibbs thermodynamics through the fundamental equation of thermodynamics from which all thermodynamic properties of a material can be derived. However, a reader with basic first-year undergraduate calculus skills will be able to get through the book without difficulty. One unique feature of this textbook is the descriptions of the step-by-step procedures for computing all the thermodynamic properties from the fundamental equation of thermodynamics and all the thermodynamic energies from a set of common, experimentally measurable thermodynamic properties, supplemented with ample numerical examples. Another unique feature of this textbook is its emphasis on the concept of chemical potential and its applications to phase equilibria in single component systems and binary solutions, chemical reaction equilibria, and lattice and electronic defects in crystals. The concept of chemical potential is introduced at the very beginning of the book together with temperature and pressure. It avoids or minimizes the use of terms such as molar Gibbs free energy, partial molar Gibbs free energy, or Gibbs potential because molar Gibbs free energy or partial molar Gibbs free energy is precisely the chemical potential of a material or a component. It is the chemical potential that determines the stability of chemical species, compounds, and phases and their tendency to chemically react to form new species, transform to new physical state, and migrate from one spatial location to another. Therefore, it is the chemical potential differences or gradients that drive essentially all materials processes of interest. A reader after finishing reading the book is expected to not only achieve a high-level fundamental understanding of thermodynamics but also acquire the analytical skills of applying thermodynamics to determining materials equilibrium and driving forces for materials processes.

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
R1,159 Discovery Miles 11 590 Ships in 9 - 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

Molecular Dynamics and Complexity in Catalysis and Biocatalysis (Paperback, 1st ed. 2022): Marco Piumetti Molecular Dynamics and Complexity in Catalysis and Biocatalysis (Paperback, 1st ed. 2022)
Marco Piumetti; Contributions by Andres Illanes, Nik Lygeros
R1,729 Discovery Miles 17 290 Ships in 10 - 15 working days

This textbook presents a concise comparison of catalytic and biocatalytic systems outlining their catalytic properties and peculiarities. Moreover, it presents a brief introduction to the science of catalysis and attempts to unify different catalytic systems into a single, conceptually coherent structure. In fact, molecular dynamics and complexity may occur in both catalysts and biocatalysts, with many similarities in both their structural configuration and operational mechanisms. Moreover, the interactions between the different components of the catalytic system that are important in defining the overall activity, including the nature of active sites are discussed. Each chapter includes end of chapter questions supported by an online instructor solution manual. This textbook will be useful for undergraduate and graduate chemistry and biochemistry students.

Free Delivery
Pinterest Twitter Facebook Google+
You may like...
John Catt's Preparatory Schools 2022 - A…
Jonathan Barnes Paperback R459 R331 Discovery Miles 3 310
Project Management for Research - A…
Adedeji B. Badiru, Christina F. Rusnock, … Paperback R1,585 Discovery Miles 15 850
School Cultures - Universes of Meaning…
Mary E. Henry Hardcover R2,784 Discovery Miles 27 840
Gramsci and Media Literacy - Critically…
Erika Engstrom, Ralph Beliveau Hardcover R2,175 Discovery Miles 21 750
Relativistic Quantum Field Theory…
Michael Strickland Hardcover R2,362 Discovery Miles 23 620
Awful Disclosures by Maria Monk of the…
Maria Monk Hardcover R868 Discovery Miles 8 680
Phage Display In Biotechnology and Drug…
Sachdev S. Sidhu, Clarence Ronald Geyer Hardcover R6,331 Discovery Miles 63 310
Theologies of Human Agency…
Megan Fullerton Strollo Hardcover R2,541 R2,281 Discovery Miles 22 810
The Competitive Nephew
Montague Glass Paperback R601 Discovery Miles 6 010
Two Dozen (or so) Arguments for God…
Jerry L. Walls, Trent Dougherty Hardcover R2,582 Discovery Miles 25 820

 

Partners