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Books > Science & Mathematics > Chemistry > Physical chemistry

Quantum Computational Chemistry - Modelling and Calculation for Functional Materials (Paperback, Softcover reprint of the... Quantum Computational Chemistry - Modelling and Calculation for Functional Materials (Paperback, Softcover reprint of the original 1st ed. 2018)
Taku Onishi
R2,955 Discovery Miles 29 550 Ships in 7 - 11 working days

This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular orbitals, with many research examples in the field of batteries, catalysts, organic molecules and biomolecules. Finally, future trends in computational chemistry are introduced.

Supramolecular Chemistry in Water (Hardcover): Stefan Kubik Supramolecular Chemistry in Water (Hardcover)
Stefan Kubik
R3,763 R3,065 Discovery Miles 30 650 Save R698 (19%) Ships in 10 - 15 working days

Provides deep insight into the concepts and recent developments in the area of supramolecular chemistry in water Written by experts in their respective field, this comprehensive reference covers various aspects of supramolecular chemistry in water?from fundamental aspects to applications. It provides readers with a basic introduction to the current understanding of the properties of water and how they influence molecular recognition, and examines the different receptor types available in water and the types of substrates that can be bound. It also looks at areas to where they can be applied, such as materials, optical sensing, medicinal imaging, and catalysis. Supramolecular Chemistry in Water offers five major sections that address important topics like water properties, molecular recognition, association and aggregation phenomena, optical detection and imaging, and supramolecular catalysis. It covers chemistry and physical chemistry of water; water-mediated molecular recognition; peptide and protein receptors; nucleotide receptors; carbohydrate receptors; and ion receptors. The book also teaches readers all about coordination compounds; self-assembled polymers and gels; foldamers; vesicles and micelles; and surface-modified nanoparticles. In addition, it provides in-depth information on indicators and optical probes, as well as probes for medical imaging. -Covers, in a timely manner, an emerging area in chemistry that is growing more important every day -Addresses topics such as molecular recognition, aggregation, catalysis, and more -Offers comprehensive coverage of everything from fundamental aspects of supramolecular chemistry in water to its applications -Edited by one of the leading international scientists in the field Supramolecular Chemistry in Water is a one-stop-resource for all polymer chemists, catalytic chemists, biochemists, water chemists, and physical chemists involved in this growing area of research.

Fluorescent Tools for Imaging Oxidative Stress in Biology (Hardcover, 1st ed. 2018): Amandeep Kaur Fluorescent Tools for Imaging Oxidative Stress in Biology (Hardcover, 1st ed. 2018)
Amandeep Kaur
R3,401 R3,075 Discovery Miles 30 750 Save R326 (10%) Ships in 10 - 15 working days

This thesis advances the long-standing challenge of measuring oxidative stress and deciphering its underlying mechanisms, and also outlines the advantages and limitations of existing design strategies. It presents a range of approaches for the chemical synthesis of fluorescent probes that detect reversible changes in cellular oxidative stress. The ability to visualise cellular processes in real-time is crucial to understanding disease development and streamline treatment, and this can be achieved using fluorescent tools that can sense reversible disturbances in cellular environments during pathogenesis. The perturbations in cellular redox state are of particular current interest in medical research, since oxidative stress is implicated in the pathogenesis of a number of diseases. The book investigates different strategies used to achieve ratiometric fluorescence output of the reversible redox probes, which nullify concentration effects associated with intensity-based probes. It also describes suitable approaches to target these probes to specific cellular organelles, thereby enabling medical researchers to visualise sub-cellular oxidative stress levels, and addressing the typically poor uptake of chemical tools into biological studies. In total it reports on four new probes that are now being used by over twenty research groups around the globe, and two of which have been commercialised. The final chapters of this thesis demonstrate successful applications of the sensors in a variety of biological systems ranging from prokaryotes to mammalian cells and whole organisms. The results described clearly indicate the immense value of collaborative, cross-disciplinary research.

Isaiah Shavitt - A Memorial Festschrift from Theoretical Chemistry Accounts (Hardcover, 1st ed. 2016): Ron Shepard, Russell M.... Isaiah Shavitt - A Memorial Festschrift from Theoretical Chemistry Accounts (Hardcover, 1st ed. 2016)
Ron Shepard, Russell M. Pitzer, Thom Dunning
R3,291 R2,510 Discovery Miles 25 100 Save R781 (24%) Ships in 10 - 15 working days

In this Festschrift dedicated to the late Isaiah Shavitt (1925-2012) , selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.

Note-by-Note Cooking - The Future of Food (Paperback): Herve This Note-by-Note Cooking - The Future of Food (Paperback)
Herve This; Translated by Malcolm DeBevoise
R370 R308 Discovery Miles 3 080 Save R62 (17%) Ships in 10 - 15 working days

Note-by-Note Cooking is a landmark in the annals of gastronomy, liberating cooks from the constraints of traditional ingredients and methods through the use of pure molecular compounds. 1-Octen-3-ol, which has a scent of wild mushrooms; limonene, a colorless liquid hydrocarbon that has the smell of citrus; sotolon, whose fragrance at high concentrations resembles curry and at low concentrations, maple syrup or sugar; tyrosine, an odorless but flavorful amino acid present in cheese-these and many other substances, some occurring in nature, some synthesized in the laboratory, make it possible to create novel tastes and flavors in the same way that elementary sound waves can be combined to create new sounds. Note-by-note cooking promises to add unadulterated nutritional value to dishes of all kinds, actually improving upon the health benefits of so-called natural foods. Cooking with molecular compounds will be far more energy efficient and environmentally sustainable than traditional techniques of cooking. This new way of thinking about food heralds a phase of culinary evolution on which the long-term survival of a growing human population depends. Herve This clearly explains the properties of naturally occurring and synthesized compounds, dispels a host of misconceptions about the place of chemistry in cooking, and shows why note-by-note cooking is an obvious-and inevitable-extension of his earlier pioneering work in molecular gastronomy. An appendix contains a representative selection of recipes, vividly illustrated in color.

Correlation Analysis in Chemistry of Solutions (Hardcover): Roman Makitra, Anatolij Turovsky, Gennady Zaikov Correlation Analysis in Chemistry of Solutions (Hardcover)
Roman Makitra, Anatolij Turovsky, Gennady Zaikov
R6,641 Discovery Miles 66 410 Ships in 10 - 15 working days

The behavior of substances in solutions may not be adequately characterized by the effect of any single physicochemical parameter of solvents, nor are numerous semi-empirical scales of the solvent effect (their 'polarity') suitable for their limited selections only. In recent decades, it has been found that the variation of reaction rate constants in solutions or that spectral parameters of dissolved substances are determined by the total effect of different solvation processes. This monograph presents numerous examples of such an approach and characterizes various empirical and semi-empirical scales of solvent properties. It is shown that additional consideration of some structural parameters of solvents, namely, their cohesive energy and the molar volume, may provide for spreading this approach on homolytical and catalytic reaction.
It is also shown that for the solvolysis reaction, one of the excessive reagents may represent either a reagent or a solvent, which requires additional consideration of its structural characteristics in the Hammeth equation.
The application of the principle of free energy linearity also allowed adequate generalization of data on the effect of solvents on different physicochemical processes, such as dissolution of gases and solids in various solvents, swelling of polymers and solid fossil fuels, coal extraction, adsorption, absorption, diffusion, and chromatography. Special attention is paid to substance distribution between two immiscible phases. Properties of both an extractive phase and an active extractant dissolved in inert diluter are taken into account. The majority of these processes indicate the efficiency of solvent self-association factorthat defines the energy consumption for formation of a void for an alien molecule injection.

Microwaves in Catalysis - Methodology and Applications (Hardcover): Satoshi Horikoshi, Nick Serpone Microwaves in Catalysis - Methodology and Applications (Hardcover)
Satoshi Horikoshi, Nick Serpone
R3,162 R2,939 Discovery Miles 29 390 Save R223 (7%) Ships in 10 - 15 working days

A comprehensive overview covering the principles and preparation of catalysts, as well as reactor technology and applications in the field of organic synthesis, energy production, and environmental catalysis. Edited and authored by renowned and experienced scientists, this reference focuses on successful reaction procedures for applications in industry. Topics include catalyst preparation, the treatment of waste water and air, biomass and waste valorisation, hydrogen production, oil refining as well as organic synthesis in the presence of heterogeneous and homogeneous catalysts and continuous-flow reactions. With its practical relevance and successful methodologies, this is a valuable guide for chemists at universities working in the field of catalysis, organic synthesis, pharmaceutical or green chemistry, as well as researchers and engineers in the chemical industry.

Introduction to General, Organic, and Biochemistry (Hardcover, 12th edition): William Brown, Shawn Farrell, Frederick... Introduction to General, Organic, and Biochemistry (Hardcover, 12th edition)
William Brown, Shawn Farrell, Frederick Bettelheim, Mary Campbell, Omar Torres
R1,034 R895 Discovery Miles 8 950 Save R139 (13%) Ships in 15 - 25 working days

Gain a comprehensive understanding of chemistry and see how it relates to health science with INTRODUCTION TO GENERAL, ORGANIC, AND BIOCHEMISTRY. This bestseller features dynamic art, interesting examples, coverage of the latest issues, and a wide variety of medical and biological applications. As you explore topics such as botulin toxin as a cosmetic agent, implications for the use of antibiotics, and ultraviolet sunscreen, you will see how useful the study of chemistry is to your life. The book's built-in integration with OWLv2 (Online Web Learning) turns your chemistry study time into active experiences that build your comprehension, bring concepts to life, and help you succeed in the course.

Non-Noble Metal Catalysis - Molecular Approaches and Reactions (Hardcover): Robertus J. M. Klein Gebbink, Marc-Etienne Moret Non-Noble Metal Catalysis - Molecular Approaches and Reactions (Hardcover)
Robertus J. M. Klein Gebbink, Marc-Etienne Moret
R3,994 R3,173 Discovery Miles 31 730 Save R821 (21%) Ships in 10 - 15 working days

An expert overview of current research, applications, and economic and environmental advantages The study and development of new homogeneous catalysts based on first-row metals (Mn, Fe, Co, Ni, and Cu) has grown significantly due to the economic and environmental advantages that non-noble metals present. Base metals offer reduced cost, greater supply, and lower toxicity levels than noble metals?enabling greater opportunity for scientific investigation and increased development of practical applications. Non-Noble Metal Catalysis provides an authoritative survey of the field, from fundamental concepts and computational methods to industrial applications and reaction classes. Recognized experts in organometallic chemistry and homogeneous catalysis, the authors present a comprehensive overview of the conceptual and practical aspects of non-noble metal catalysts. Examination of topics including non-innocent ligands, proton-coupled electron transfer, and multi-nuclear complexes provide essential background information, while areas such as kinetic lability and lifetimes of intermediates reflect current research and shifting trends in the field. This timely book demonstrates the efficacy of base metal catalysts in the pharmaceutical, fine-chemical, and agrochemical industries, addressing both environmental and economic concerns. Providing essential conceptual and practical exploration, this valuable resource: -Illustrates how unravelling new reactivity patterns can lead to new catalysts and new applications -Highlights the multiple advantages of using non-noble metals in homogenous catalysis -Demonstrates how the availability of non-noble metal catalysis reduces costs and leads to immense savings for the chemical industry -Reveals how non-noble metal catalysis are more sustainable than noble metals such as palladium or platinum Non-Noble Metal Catalysis: Molecular Approaches and Reactions is an indispensable source of up-to-date information for catalytic chemists, organic chemists, industrial chemists, organometallic chemists, and those seeking to broaden their knowledge of catalytic chemistry.

Particles on Surfaces: Detection, Adhesion and Removal, Volume 8 (Hardcover): Kash L. Mittal Particles on Surfaces: Detection, Adhesion and Removal, Volume 8 (Hardcover)
Kash L. Mittal
R7,700 Discovery Miles 77 000 Ships in 10 - 15 working days

This volume documents the proceedings of the 8th International Symposium on Particles on Surfaces: Detection, Adhesion and Removal held in Providence, Rhode Island, June 2426, 2002.
The study of particles on surfaces is extremely crucial in a host of diverse technological areas, ranging from microelectronics to optics to biomedical. In a world of shrinking dimensions and with the tremendous interest in various nanotechnologies, the need to understand the physics of nanoparticles becomes quite patent. With the interest in and concern with nanoparticles comes the need for new and more sensitive metrological and analysis techniques to detect, quantitate, analyze and characterize very small particles on a host of substrates.
This volume contains a total of 21 papers covering many ramifications of particles on surfaces. All manuscripts were rigorously peer-reviewed and all were revised and properly edited before inclusion in this volume. The book is divided into two parts: Particle Analysis/Characterization and General Cleaning-Related Topics and Particle Adhesion and Removal. The topics covered include: nature and characterization of small particles; surface and micro-analytical methods for particle identification; haze as a new method to monitor nano-sized particles; particle transport and adhesion in ion-beam sputter deposition process; particle deposition during immersion rinsing; ice-air blast cleaning; rectangular jets for surface decontamination; factors important in particle adhesion and removal; mechanics of nanoparticle adhesion; particle adhesion on nanoscale rough surfaces; various techniques for cleaning or removal of particles from different substrates including wetcleaning, use of modified SC-1 solutions, use of surfactants, ozonated DI water, ultrasonic, megasonic, laser, energetic clusters; and post-CMP cleaning.
This volume, together with its predecessors, will be of immense value to anyone interested in the world of particles on surfaces, and will serve as a resource for information on contemporary R&D activity in this extremely technologically important area.

Multi-shell Polyhedral Clusters (Hardcover, 1st ed. 2018): Mircea Vasile Diudea Multi-shell Polyhedral Clusters (Hardcover, 1st ed. 2018)
Mircea Vasile Diudea
R3,285 R2,938 Discovery Miles 29 380 Save R347 (11%) Ships in 10 - 15 working days

This volume presents new methodologies and rationalizes existing methods that are used in the design of multi-shell polyhedral clusters. The author describes how the methods used are extended from 2D-operations on maps to 3D (and higher dimensional) Euclidean space. A variety of structures is designed and described in detail and classified giving rise to an atlas of multi-shell nanostructures. The book therefore sheds a new light on the field of crystal and quasicrystal structures, an important part of nanoscience and nanotechnology. The author goes on to show how the recently established methods are used for building complex multi-shell nanostructures and how this completes the existing information in the field. The atlas of such structures is completed with atomic coordinates (included as supplementary material). The content of this book gives a useful insight into structure elucidation and suggests new material synthesis.

Chemical Bonding (Paperback, 2nd Revised edition): Mark J. Winter Chemical Bonding (Paperback, 2nd Revised edition)
Mark J. Winter
R617 Discovery Miles 6 170 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.

Liganded silver and gold quantum clusters. Towards a new class of nonlinear optical nanomaterials (Paperback, 1st ed. 2018):... Liganded silver and gold quantum clusters. Towards a new class of nonlinear optical nanomaterials (Paperback, 1st ed. 2018)
Rodolphe Antoine, Vlasta Bonacic-Koutecky
R1,343 R1,236 Discovery Miles 12 360 Save R107 (8%) Ships in 10 - 15 working days

Metallic quantum clusters belonging to intermediate size regime between two and few hundred of atoms, represent unique building blocks of new materials. Nonlinear optical (NLO) characteristics of liganded silver and gold quantum clusters reveal remarkable features which can be tuned by size, structure and composition. The two-photon absorption cross sections of liganded noble metal quantum clusters are several orders of magnitude larger than that of commercially-available dyes. Therefore, the fundamental photophysical understanding of those two-photon processes in liganded clusters with few metal atoms deserve special attention, in particularly in context of finding the mechanisms responsible for these properties. A broad range of state-of-the-art experimental methods to determine nonlinear optical properties (i.e. two-photon absorption, two-photon excited fluorescence and second harmonic generation) of quantum clusters are presented. The experimental setup and underlying physical concepts are described. Furthermore, the theoretical models and corresponding approaches are used allowing to explain the experimental observations and simultaneously offering the possibility to deduce the key factors necessary to design new classes of nanoclusters with large NLO properties. Additionally, selected studied cases of liganded silver and gold quantum clusters with focus on their NLO properties will be presented as promising candidates for applications in imaging techniques such as fluorescence microscopy or Second-Harmonic Generation microscopy.

Surface Contamination and Cleaning - Volume 1 (Hardcover): Kash L. Mittal Surface Contamination and Cleaning - Volume 1 (Hardcover)
Kash L. Mittal
R7,703 Discovery Miles 77 030 Ships in 10 - 15 working days

This volume documents the proceedings of the "International Symposium on Surface Contamination and Cleaning, held in Newark, New Jersey, May 23-25, 2001.
Because of the importance of this topic in many technological areas, tremendous efforts have been devoted to devise novel and more efficient ways to monitor, analyse and characterize contamination on surfaces as well as ways to remove such contamination from a wide variety of surfaces. The technological areas where surface contamination has always been a bete noire and thus surface cleaning is of cardinal importance are too many and range from aerospace to microelectronics to biomedical.
This volume contains a total of 24 papers, all rigorously peer reviewed and revised before inclusion, which deal with all kinds of contaminations on a host of surfaces. The topics covered include: mapping of surface contaminants; various techniques for cleaning surfaces; various techniques for monitoring level of cleanliness; acceptable cleanliness levels; ionic contamination; pharmaceutical cleaning validations; cleaning of glass surfaces; decontamination of sensitive equipment; no-chemistry process cleaning; waterjet cleaning; cleaning with solid carbon dioxide pellet blasting; cleanroom wipers; dust removal from solar panels and spacecraft on Mars; laser cleaning of silicon surfaces; particle removal; implications of surface contamination and cleaning; and future of industrial cleaning and related public policy-making.

Materials, Energy and Environment Engineering - Select Proceedings of ICACE 2015 (Paperback, Softcover reprint of the original... Materials, Energy and Environment Engineering - Select Proceedings of ICACE 2015 (Paperback, Softcover reprint of the original 1st ed. 2017)
Raj Mohan B., G. Srinikethan, Bhim Charan Meikap
R6,224 Discovery Miles 62 240 Ships in 7 - 11 working days

This edited volume comprises the proceedings of ICACE-2015. In the recent past Chemical Engineering as a discipline has been diversifying into several frontier areas and this volume addresses the advances in core Chemical Engineering as well as allied fields. The contents of this volume focus on energy and environmental applications of chemical engineering research and on materials science aspects of chemical engineering. This book will be useful to researchers, students, and professionals, particularly those working on interdisciplinary applications of Chemical Engineering problems.

Foams - Structure and Dynamics (Paperback): Isabelle Cantat, Sylvie Cohen-Addad, Florence Elias, Francois Graner, Reinhard... Foams - Structure and Dynamics (Paperback)
Isabelle Cantat, Sylvie Cohen-Addad, Florence Elias, Francois Graner, Reinhard Hoehler, …
R809 Discovery Miles 8 090 Ships in 10 - 15 working days

Foams are ubiquitous in our daily lives. Their presence is highly desirable in certain foods, drinks and cosmetics, and they are essential in oil recovery and mineral extraction. In some industrial processes (such as the manufacture of glass, paper and wine) foams are an unwelcome by-product. Why do they appear? What controls the rate at which they disappear? Do they flow in the same way as ordinary liquids? All of these questions and more are addressed here, incorporating significant recent contributions to the field of foams. This book is the first to provide a thorough description of all aspects of the physico-chemical properties of foams. It sets out what is known about their structure, their stability, and their rheology. Engineers, researchers and students will find descriptions of all the key concepts, illustrated by numerous applications, as well as experiments and exercises for the reader. A solutions manual for lecturers is available via the publisher's web site.

Textbook of Physical Chemistry (Paperback, 2nd Revised edition): H. K. Moudgil Textbook of Physical Chemistry (Paperback, 2nd Revised edition)
H. K. Moudgil
R776 R733 Discovery Miles 7 330 Save R43 (6%) Ships in 10 - 15 working days

This thoroughly revised and updated second edition covers the principal areas of physical chemistry, such as thermodynamics, quantum chemistry, molecular spectroscopy, chemical kinetics, electrochemistry and nanotechnology.In an accessible style, the book discusses classical, irreversible and statistical thermodynamics and statistical mechanics, and describes macroscopic chemical systems, steady states and thermodynamics at a molecular level. It explains the underlying principles of quantum mechanics, molecular spectroscopy, X-ray crystallography and solid state chemistry along with their applications.The book explains various instrumentation techniques such as potentiometry, polarography, voltammetry, conductometry and coulometry. It also describes kinetics, rate laws and chemical processes at the electrodes. In addition, the text deals with the chemistry of corrosion and nanomaterials.This text is primarily designed for undergraduate and postgraduate students of chemistry.Key features:Gives a thorough treatment to ensure a solid grasp of the material.Presents a large number of figures and diagrams that help amplify key concepts.Contains several worked-out examples for better understanding of the subject matter. Provides numerous chapter-end exercises to foster conceptual understanding.

Studies on the Plasmon-Induced Photoexcitation Processes of Molecules on Metal Surfaces (Hardcover, 1st ed. 2017): Fumika... Studies on the Plasmon-Induced Photoexcitation Processes of Molecules on Metal Surfaces (Hardcover, 1st ed. 2017)
Fumika Nagasawa; Contributions by Kei Murakoshi
R2,494 R2,238 Discovery Miles 22 380 Save R256 (10%) Ships in 10 - 15 working days

This thesis proposes a novel way to catch light energy using an ultrasmall nanostructure. The author has developed photon-materials systems to open the way for novel photoexcitation processes based on the findings obtained from in-situ observation of the systems in which localized surface plasmon (LSP) and molecules interact strongly. The highly ordered metal nanostructure provided the opportunity for anisotropic photoexcitation of materials in an eccentric way. The optimization of the systems via nanostructuring and electrochemical potential control resulted in the novel excitation process using LSP to realize the additional transition for photoexcitation. Furthermore, excited electronic states formed the strong coupling between LSP and excitons of molecules. This thesis will provide readers with an idea for achieving very effective processes for photon absorption, scattering, and emission beyond the present limits of photodevices.

Liquid Surfaces and Interfaces - Synchrotron X-ray Methods (Hardcover, New): Peter S. Pershan, Mark Schlossman Liquid Surfaces and Interfaces - Synchrotron X-ray Methods (Hardcover, New)
Peter S. Pershan, Mark Schlossman
R2,919 R2,714 Discovery Miles 27 140 Save R205 (7%) Ships in 10 - 15 working days

The availability of synchrotron x-ray sources and the subsequent developments described in this book have led to substantial progress in our understanding of molecular ordering at liquid interfaces. This practical guide enables graduate students and researchers working in physics, chemistry, biology and materials science to understand and carry out experimental investigations into the basic physical and chemical properties of liquid surfaces and interfaces. The book examines the surfaces of bulk liquids, thin wetting films and buried liquid-liquid interfaces. It discusses experiments on simple and complex fluids, including pure water and organic liquids, liquid crystals, liquid metals, electrified liquid-liquid interfaces and interfacial monolayers of amphiphiles, nanoparticles, polymers and biomolecules. A detailed description of the apparatus and techniques required for these experiments is provided, and theoretical approaches to data analysis are described, including approximate methods such as the Master formula, the Born approximation, Parratt's algorithm and the Distorted Wave Approximation.

Molecular Electronic-Structure Theory (Paperback): Trygve Helgaker, Poul Jorgensen, Jeppe Olsen Molecular Electronic-Structure Theory (Paperback)
Trygve Helgaker, Poul Jorgensen, Jeppe Olsen
R1,775 R1,617 Discovery Miles 16 170 Save R158 (9%) Ships in 10 - 15 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.

Lithium-Ion Batteries: Basics and Applications (Hardcover, 1st ed. 2018): Reiner Korthauer Lithium-Ion Batteries: Basics and Applications (Hardcover, 1st ed. 2018)
Reiner Korthauer
R3,269 R2,705 Discovery Miles 27 050 Save R564 (17%) Ships in 10 - 15 working days

The handbook focuses on a complete outline of lithium-ion batteries. Just before starting with an exposition of the fundamentals of this system, the book gives a short explanation of the newest cell generation. The most important elements are described as negative / positive electrode materials, electrolytes, seals and separators. The battery disconnect unit and the battery management system are important parts of modern lithium-ion batteries. An economical, faultless and efficient battery production is a must today and is represented with one chapter in the handbook. Cross-cutting issues like electrical, chemical, functional safety are further topics. Last but not least standards and transportation themes are the final chapters of the handbook. The different topics of the handbook provide a good knowledge base not only for those working daily on electrochemical energy storage, but also to scientists, engineers and students concerned in modern battery systems.

Atmospheric Reaction Chemistry (Paperback, Softcover reprint of the original 1st ed. 2016): Hajime Akimoto Atmospheric Reaction Chemistry (Paperback, Softcover reprint of the original 1st ed. 2016)
Hajime Akimoto
R3,093 Discovery Miles 30 930 Out of stock

This book is aimed at graduate students and research scientists interested in gaining a deeper understanding of atmospheric chemistry, fundamental photochemistry, and gas phase and heterogeneous reaction kinetics. It also provides all necessary spectroscopic and kinetic data, which should be useful as reference sources for research scientists in atmospheric chemistry. As an application of reaction chemistry, it provides chapters on tropospheric and stratospheric reaction chemistry, covering tropospheric ozone and photochemical oxidant formation, stratospheric ozone depletion and sulfur chemistry related to acid deposition and the stratospheric aerosol layer. This book is intended not only for students of chemistry but also particularly for non-chemistry students who are studying meteorology, radiation physics, engineering, and ecology/biology and who wish to find a useful source on reaction chemistry.

Nanoparticle Technology Handbook (Hardcover, 3rd edition): Makio Naito, Toyokazu Yokoyama, Kouhei Hosokawa, Kiyoshi Nogi Nanoparticle Technology Handbook (Hardcover, 3rd edition)
Makio Naito, Toyokazu Yokoyama, Kouhei Hosokawa, Kiyoshi Nogi
R10,727 R7,866 Discovery Miles 78 660 Save R2,861 (27%) Ships in 10 - 15 working days

Nanoparticle Technology Handbook, Third Edition, is an updated and expanded authoritative reference providing both the theory behind nanoparticles and the practical applications of nanotechnology. This third edition features twenty new chapters, providing a reference much broader in scope than the previous edition. Over 140 experts in nanotechnology and/or particle technology contributed to this new edition. The book not only includes the theory behind nanoparticles, but also the practical applications of nanotechnology. It examines future possibilities and new innovations and contains important knowledge on nanoparticle characterization and the effect of nanoparticles on the environment and humans. Nanoparticle technology is a new and revolutionary technology, which is increasingly used in electronic devices and nanomaterials. It handles the preparation, processing, application and characterization of nanoparticles and has become the core of nanotechnology as an extension of conventional fine particle/powder technology. Nanoparticle technology plays an important role in the implementation of nanotechnology in many engineering and industrial fields, including electronic devices, advanced ceramics, new batteries, engineered catalysts, functional paint and ink, drug delivery system, biotechnology, etc., making use of the unique properties of nanoparticles, which are completely different from those of bulk materials.

Chemistry(3) - Introducing inorganic, organic and physical chemistry (Paperback, 3rd Revised edition): Andrew Burrows, John... Chemistry(3) - Introducing inorganic, organic and physical chemistry (Paperback, 3rd Revised edition)
Andrew Burrows, John Holman, Andrew Parsons, Gwen M. Pilling, Gareth Price
R950 R833 Discovery Miles 8 330 Save R117 (12%) Ships in 6 - 10 working days

Chemistry is widely considered to be the central science: it encompasses concepts from which other branches of science are developed. Yet, for many students entering university, gaining a firm grounding in chemistry is a real challenge. Chemistry(3) responds to this challenge, providing students with a full understanding of the fundamental principles of chemistry on which to build later studies. Uniquely amongst the introductory chemistry texts currently available, Chemistry(3) is written by a team of chemists to give equal coverage of organic, inorganic and physical chemistry - coverage that is uniformly authoritative. The approach to organic chemistry is mechanistic, rather than the old-fashioned 'functional group' approach, to help students achieve a fuller understanding of the underlying principles. The expertise of the author team is complemented by two specialists in chemistry education, who bring to the book a wealth of experience of teaching chemistry in a way that students enjoy and understand, and who understand the challenges of the transition from school to university. The result is a text that builds on what students know already from school and tackles their misunderstandings and misconceptions, thereby providing a seamless transition from school to undergraduate study. The authors achieve unrivalled accessibility through the provision of carefully-worded explanations and reminders of students' existing knowledge; the introduction of concepts in a logical and progressive manner; and the use of annotated diagrams and step-by-step worked examples. Students are encouraged to engage with the text and appreciate the central role that chemistry plays in our lives through the unique use of real-world context and photographs. Chemistry(3) tackles head-on two issues pervading chemistry education: students' mathematical skills, and their ability to see the subject as a single, unified discipline. Instead of avoiding the maths, Chemistry(3) provides structured support, in the form of careful explanations, reminders of key mathematical concepts, step-by-step calculations in worked examples, and a Maths Toolkit, to help students get to grips with the essential mathematical element of chemistry. Frequent cross-references highlight the connections between each strand of chemistry and explain the relationship between the topics, so students can develop an understanding of the subject as a whole.

Asymmetric Synthesis of Three-Membered Rings (Hardcover): Helene Pellissier, Alessandra Lattanzi, Renato Dalpozzo Asymmetric Synthesis of Three-Membered Rings (Hardcover)
Helene Pellissier, Alessandra Lattanzi, Renato Dalpozzo
R3,761 R3,171 Discovery Miles 31 710 Save R590 (16%) Ships in 10 - 15 working days

The first handbook to focus on the asymmetric synthesis of different types of three-membered rings. The outstanding and experienced authors have an excellent international reputation and cover cyclopropanes, epoxides and aziridines as well as chiral oxaziridines in equal measure. To this end, they describe in detail different synthetic approaches starting with chiral substrates as well as the application of chiral metal- or organocatalysts. Furthermore, methods for the kinetic resolution of initially racemic products are treated alongside recent advances and novel developments in established techniques for the synthesis of three-membered rings. With its structured composition this is of high interest to scientists in methodological and natural product synthesis as well as those in industrial and pharmaceutical chemistry.

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Surface and Interfacial Aspects of Cell…
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Pierre Delhaes Hardcover R3,849 Discovery Miles 38 490
Wood Adhesives
Antonio Pizzi, Kash L. Mittal Hardcover R6,154 Discovery Miles 61 540
Conceptual Chemistry: Pearson New…
John Suchocki Paperback R1,528 Discovery Miles 15 280
Fundamentals of Materials Science - The…
Eric J. Mittemeijer Hardcover R2,613 Discovery Miles 26 130
Workbook in Physical Chemistry
Joanne Elliott, Elizabeth Page Paperback R606 Discovery Miles 6 060
Many-Body Theory of Condensed Matter…
Michael G. Cottam, Zahra Haghshenasfard Hardcover R1,317 Discovery Miles 13 170