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Books > Science & Mathematics > Chemistry > Physical chemistry

The Lithium Air Battery - Fundamentals (Hardcover, 2014 ed.): Nobuyuki Imanishi, Alan C. Luntz, Peter Bruce The Lithium Air Battery - Fundamentals (Hardcover, 2014 ed.)
Nobuyuki Imanishi, Alan C. Luntz, Peter Bruce
R5,070 Discovery Miles 50 700 Ships in 12 - 19 working days

Lithium air rechargeable batteries are the best candidate for a power source for electric vehicles, because of their high specific energy density. In this book, the history, scientific background, status and prospects of the lithium air system are introduced by specialists in the field. This book will contain the basics, current statuses, and prospects for new technologies. This book is ideal for those interested in electrochemistry, energy storage, and materials science.

Electrochemistry Crash Course for Engineers (Hardcover, 1st ed. 2021): Slobodan Petrovic Electrochemistry Crash Course for Engineers (Hardcover, 1st ed. 2021)
Slobodan Petrovic
R1,644 Discovery Miles 16 440 Ships in 10 - 15 working days

This book is a concise introductory guide to understanding the foundations of electrochemistry. By using simplified classroom-tested methods developed while teaching the subject to engineering students, the author explains in simple language an otherwise complex subject that can be difficult to master for most. It provides readers with an understanding of important electrochemical processes and practical industrial applications, such as electrolysis processes, metal electrowinning, corrosion and analytical applications, and galvanic cells such as batteries, fuel cells, and supercapacitors. This powerful tutorial is a great resource for students, engineers, technicians, and other busy professionals who need to quickly acquire a solid understanding of the science of electrochemistry.

Computational Modelling of Nanoparticles, Volume 12 (Hardcover): Stefan T. Bromley, Scott M. Woodley Computational Modelling of Nanoparticles, Volume 12 (Hardcover)
Stefan T. Bromley, Scott M. Woodley
R4,382 R4,074 Discovery Miles 40 740 Save R308 (7%) Ships in 12 - 19 working days

Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research.

Nonequilibrium Dynamics of Collective Excitations in Quantum Materials (Hardcover, 1st ed. 2018): Edoardo Baldini Nonequilibrium Dynamics of Collective Excitations in Quantum Materials (Hardcover, 1st ed. 2018)
Edoardo Baldini
R2,926 Discovery Miles 29 260 Ships in 10 - 15 working days

This book studies the dynamics of fundamental collective excitations in quantum materials, focusing on the use of state-of-the-art ultrafast broadband optical spectroscopy. Collective behaviour in solids lies at the origin of several cooperative phenomena that can lead to profound transformations, instabilities and phase transitions. Revealing the dynamics of collective excitations is a topic of pivotal importance in contemporary condensed matter physics, as it provides information on the strength and spatial distribution of interactions and correlation. The experimental framework explored in this book relies on setting a material out-of-equilibrium by an ultrashort laser pulse and monitoring the photo-induced changes in its optical properties over a broad spectral region in the visible or deep-ultraviolet. Collective excitations (e.g. plasmons, excitons, phonons...) emerge either in the frequency domain as spectral features across the probed range, or in the time domain as coherent modes triggered by the pump pulse. Mapping the temporal evolution of these collective excitations provides access to the hierarchy of low-energy phenomena occurring in the solid during its path towards thermodynamic equilibrium. This methodology is used to investigate a number of strongly interacting and correlated materials with an increasing degree of internal complexity beyond conventional band theory.

The Role of Topology in Materials (Hardcover, 1st ed. 2018): Sanju Gupta, Avadh Saxena The Role of Topology in Materials (Hardcover, 1st ed. 2018)
Sanju Gupta, Avadh Saxena
R5,005 Discovery Miles 50 050 Ships in 12 - 19 working days

This book presents the most important advances in the class of topological materials and discusses the topological characterization, modeling and metrology of materials. Further, it addresses currently emerging characterization techniques such as optical and acoustic, vibrational spectroscopy (Brillouin, infrared, Raman), electronic, magnetic, fluorescence correlation imaging, laser lithography, small angle X-ray and neutron scattering and other techniques, including site-selective nanoprobes. The book analyzes the topological aspects to identify and quantify these effects in terms of topology metrics. The topological materials are ubiquitous and range from (i) de novo nanoscale allotropes of carbons in various forms such as nanotubes, nanorings, nanohorns, nanowalls, peapods, graphene, etc. to (ii) metallo-organic frameworks, (iii) helical gold nanotubes, (iv) Moebius conjugated polymers, (v) block co-polymers, (vi) supramolecular assemblies, to (vii) a variety of biological and soft-matter systems, e.g. foams and cellular materials, vesicles of different shapes and genera, biomimetic membranes, and filaments, (viii) topological insulators and topological superconductors, (ix) a variety of Dirac materials including Dirac and Weyl semimetals, as well as (x) knots and network structures. Topological databases and algorithms to model such materials have been also established in this book. In order to understand and properly characterize these important emergent materials, it is necessary to go far beyond the traditional paradigm of microscopic structure-property-function relationships to a paradigm that explicitly incorporates topological aspects from the outset to characterize and/or predict the physical properties and currently untapped functionalities of these advanced materials. Simulation and modeling tools including quantum chemistry, molecular dynamics, 3D visualization and tomography are also indispensable. These concepts have found applications in condensed matter physics, materials science and engineering, physical chemistry and biophysics, and the various topics covered in the book have potential applications in connection with novel synthesis techniques, sensing and catalysis. As such, the book offers a unique resource for graduate students and researchers alike.

Advances in Biomembranes and Lipid Self-Assembly, Volume 28 (Hardcover): Ales Iglic, Patricia Losada-Perez, Michael Rappolt Advances in Biomembranes and Lipid Self-Assembly, Volume 28 (Hardcover)
Ales Iglic, Patricia Losada-Perez, Michael Rappolt
R5,210 Discovery Miles 52 100 Ships in 12 - 19 working days

Advances in Biomembranes and Lipid Self-Assembly, Volume 28, formerly titled Advances in Planar Lipid Bilayers and Liposomes, provides a global platform for the study of cell membranes, lipid model membranes, and lipid self-assemblies, from the micro- to the nanoscale. Planar lipid bilayers are widely studied due to their ubiquity in nature. This book presents research on their application in the formulation of biomimetic model membranes, and in the design of artificial dispersion of liposomes. Moreover, the book discusses how lipids self-assemble into a wide range of other structures, including micelles and the liquid crystalline hexagonal and cubic phases. Chapters in this volume present both original research and comprehensive reviews written by world leading experts and young researchers.

Flash Computation and EoS Modelling for Compositional Thermal Simulation of Flow in Porous Media (Hardcover, 1st ed. 2019):... Flash Computation and EoS Modelling for Compositional Thermal Simulation of Flow in Porous Media (Hardcover, 1st ed. 2019)
Duncan Paterson
R2,884 Discovery Miles 28 840 Ships in 10 - 15 working days

This book investigates a wide range of phase equilibrium modelling and calculation problems for compositional thermal simulation. Further, it provides an effective solution for multiphase isenthalpic flash under the classical framework, and it also presents a new flash calculation framework for multiphase systems, which can handle phase equilibrium and chemical reaction equilibrium simultaneously. The framework is particularly suitable for systems with many phases and reactions. In this book, the author shows how the new framework can be generalised for different flash specifications and different independent variables. Since the flash calculation is at the heart of various types of compositional simulation, the findings presented here will promote the combination of phase equilibrium and chemical equilibrium calculations in future simulators, aiming at improving their robustness and efficiency.

Separation of Isotopes of Biogenic Elements in Two-phase Systems (Hardcover): Boris Mikhailovich Andreev Separation of Isotopes of Biogenic Elements in Two-phase Systems (Hardcover)
Boris Mikhailovich Andreev
R4,961 Discovery Miles 49 610 Ships in 12 - 19 working days

Separation of Isotopes of Biogenic Elements provides a detailed overview of this area of research covering all aspects from the value of isotope effects to their practical use (equilibrium single-stage isotope effect - kinetics and mass transfer - multiplication of the single-stage isotope separation factor - technological peculiarity of processes) with the purpose of extraction from the natural mixture of the enriched and highly concentrated isotopes. In contrast to traditional books on the theory of isotope separation, the theoretical part of the book describes separation in two-phase processes in counter-flow columns. The experimental part of the book presents systematic analysis of specialists in the field of isotope separation in counter-flow columns. This book will be of interest to scientists, engineers and technical workers engaged in isotope separation processes and isotope application in nuclear physics, medicine, agro-chemistry, biology and other areas. This book may also be used in teaching theory and practical aspects in courses on physical chemistry and Isotope separation of light elements by physicochemical methods.
* summarises current state of isotope research, especially biogenic elements
* covering all aspects from the value of isotope effects to their practical use
* of interest to scientists, engineers and technical workers engaged in isotope separation processes and isotope application

Applications of Ion Exchange Materials in Chemical and Food Industries (Hardcover, 1st ed. 2019): Inam Uddin, Tauseef Ahmad... Applications of Ion Exchange Materials in Chemical and Food Industries (Hardcover, 1st ed. 2019)
Inam Uddin, Tauseef Ahmad Rangreez, Abdullah M. Asiri
R2,896 Discovery Miles 28 960 Ships in 10 - 15 working days

This book presents the applications of ion-exchange materials in the chemical and food industries. It includes topics related to the application of ion exchange chromatography in water softening, purification and separation of chemicals, separation and purification of food products and catalysis. This title is a highly valuable source of knowledge on ion-exchange materials and their applications suitable for postgraduate students and researchers but also to industrial R&D specialists in chemistry, chemical, and biochemical technology. Additionally, this book will provide an in-depth knowledge of ion-exchange column and operations suitable for engineers and industrialists.

Novel Colloidal Forming of Ceramics (Hardcover, 2nd ed. 2020): Jinlong Yang, Yong Huang Novel Colloidal Forming of Ceramics (Hardcover, 2nd ed. 2020)
Jinlong Yang, Yong Huang
R2,988 Discovery Miles 29 880 Ships in 10 - 15 working days

This book discusses several new, near-net-shape techniques for fabricating highly reliable, high-performance, complex ceramic parts. In the context of materials design, the creation of high-performance ceramic products of desired shapes has led to the need for new ceramic forming processes. The near-net-shape techniques combine both injection-molding and colloidal-forming processes. Reviewing and summarizing the research and latest advances, the book is divided into 6 parts: (1) the basic theory, development, and application of the colloidal injection molding of ceramics; (2) the tape casting technology; (3) the reliability of the product; (4) the colloidal injection molding of Si3N4 and SiC; (5) low-toxicity systems; and (6) the novel in-situ coagulation casting of ceramic suspensions via controlled release of high-valence counter ions and dispersant removal. It is intended for researchers and graduates in materials science and engineering.

Optimal Auxiliary Functions Method for Nonlinear Dynamical Systems (Hardcover, 1st ed. 2021): Vasile Marinca, Nicolae Herisanu,... Optimal Auxiliary Functions Method for Nonlinear Dynamical Systems (Hardcover, 1st ed. 2021)
Vasile Marinca, Nicolae Herisanu, Bogdan Marinca
R4,682 Discovery Miles 46 820 Ships in 10 - 15 working days

This book presents the optimal auxiliary functions method and applies it to various engineering problems and in particular in boundary layer problems. The cornerstone of the presented procedure is the concept of "optimal auxiliary functions" which are needed to obtain accurate results in an efficient way. Unlike other known analytic approaches, this procedure provides us with a simple but rigorous way to control and adjust the convergence of the solutions of nonlinear dynamical systems. The optimal auxiliary functions are depending on some convergence-control parameters whose optimal values are rigorously determined from mathematical point of view. The capital strength of our procedure is its fast convergence, since after only one iteration, we obtain very accurate analytical solutions which are very easy to be verified. Moreover, no simplifying hypothesis or assumptions are made. The book contains a large amount of practical models from various fields of engineering such as classical and fluid mechanics, thermodynamics, nonlinear oscillations, electrical machines, and many more. The book is a continuation of our previous books "Nonlinear Dynamical Systems in Engineering. Some Approximate Approaches", Springer-2011 and "The Optimal Homotopy Asymptotic Method. Engineering Applications", Springer-2015.

Accounts on Sustainable Flow Chemistry (Hardcover, 1st ed. 2020): Timothy Noel, Rafael Luque Accounts on Sustainable Flow Chemistry (Hardcover, 1st ed. 2020)
Timothy Noel, Rafael Luque
R6,318 Discovery Miles 63 180 Ships in 10 - 15 working days

The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.

Vibrational Spectra: Principles and Applications with Emphasis on Optical Activity, Volume 85 (Hardcover): P.L. Polavarapu Vibrational Spectra: Principles and Applications with Emphasis on Optical Activity, Volume 85 (Hardcover)
P.L. Polavarapu
R7,951 Discovery Miles 79 510 Ships in 12 - 19 working days

This book originated out of a desire to combine topics on vibrational absorption, Raman scattering, vibrational circular dichroism (VCD) and Raman optical activity (VROA) into one source. The theoretical details of these processes are presented in ten different chapters. Using dispersive and Fourier transform techniques, the instrumentation involved in these spectral measurements are given in three chapters. Major emphasis is placed on the newer techniques, i.e. VCD and VROA, with the conventional vibrational absorption and vibrational Raman scattering methods incorporated as natural parts of the newer methods.

Features of this book:

Comprehensive coverage of vibrational circular dichroism and vibrational Raman optical activity.

Coverage of theoretical and instrumental details.

A comprehensive survey of VCD and VROA applications is included, so that the reader can get an overview of theory, instrumentation and applications in one source.

The topics covered are of an advanced level, which makes this book invaluable for graduate students and practising scientists in vibrational spectroscopy.
"

Game Theory - Mathematical Models of Conflict (Paperback, New edition): A.J. Jones Game Theory - Mathematical Models of Conflict (Paperback, New edition)
A.J. Jones
R1,921 Discovery Miles 19 210 Ships in 12 - 19 working days

Written engagingly and with agreeable humour, this book balances a light touch with a rigorous yet economical account of the theory of games and bargaining models. It provides a precise interpretation, discussion and mathematical analysis for a wide range of game-like problems in economics, sociology, strategic studies and war.
There is first an informal introduction to game theory, which can be understood by non-mathematicians, which covers the basic ideas of extensive form, pure and mixed strategies and the minimax theorem. The general theory of non-cooperative games is then given a detailed mathematical treatment in the second chapter. Next follows a first class account of linear programming, theory and practice, terse, rigorous and readable, which is applied as a tool to matrix games and economics from duality theory via the equilibrium theorem, with detailed explanations of computational aspects of the simplex algorithm.
The remaining chapters give an unusually comprehensive but concise treatment of cooperative games, an original account of bargaining models, with a skillfully guided tour through the Shapley and Nash solutions for bimatrix games and a carefully illustrated account of finding the best threat strategies.
Balances a light touch with a rigorous yet economical account of the theory of games and bargaining modelsShows basic ideas of extensive form, pure and mixed strategies, the minimax theorem, non-cooperative and co-operative games, and a first class account of linear programming, theory and practiceBased on a series of lectures given by the author in the theory of games at Royal Holloway College"

Investigation of Nanoscopic Dynamics and Potentials by Interferometric Scattering Microscopy (Hardcover, 1st ed. 2018): Jaime... Investigation of Nanoscopic Dynamics and Potentials by Interferometric Scattering Microscopy (Hardcover, 1st ed. 2018)
Jaime Ortega-Arroyo
R3,810 Discovery Miles 38 100 Ships in 10 - 15 working days

This thesis offers a unique guide to the development and application of ultrasensitive optical microscopy based on light scattering. Divided into eight chapters, it covers an impressive range of scientific fields, from basic optical physics to molecular biology and synthetic organic chemistry. Especially the detailed information provided on how to design, build and implement an interferometric scattering microscope, as well as the descriptions of all instrumentation, hardware interfacing and image processing necessary to achieve the highest levels of performance, will be of interest to researchers now entering the field.

Theory and Practice of Metal Electrodeposition (Hardcover, 2011 Ed.): Yuliy D. Gamburg, Giovanni Zangari Theory and Practice of Metal Electrodeposition (Hardcover, 2011 Ed.)
Yuliy D. Gamburg, Giovanni Zangari
R6,319 Discovery Miles 63 190 Ships in 12 - 19 working days

The authors provide new insights into the theoretical and applied aspects of metal electrodeposition. The theory largely focuses on the electrochemistry of metals. Details on the practice discuss the selection and use of metal coatings, the technology of deposition of metals and alloys, including individual peculiarities, properties and structure of coatings, control and investigations. This book aims to acquaint advanced students and researchers with recent advances in electrodeposition while also being an excellent reference for the practical electrodeposition of metals and alloys.

Plasma Chemistry and Gas Conversion (Hardcover): Nikolay Britun, Tiago Silva Plasma Chemistry and Gas Conversion (Hardcover)
Nikolay Britun, Tiago Silva
R2,763 Discovery Miles 27 630 Ships in 10 - 15 working days
Thermodynamics - Fundamental Principles and Applications (Hardcover, 1st ed. 2019): Antonio Saggion, Rossella Faraldo, Matteo... Thermodynamics - Fundamental Principles and Applications (Hardcover, 1st ed. 2019)
Antonio Saggion, Rossella Faraldo, Matteo Pierno
R2,706 Discovery Miles 27 060 Ships in 10 - 15 working days

This book offers a comprehensive overview of thermodynamics. It is divided into four parts, the first of which equips readers with a deeper understanding of the fundamental principles of thermodynamics of equilibrium states and of their evolution. The second part applies these principles to a series of generalized situations, presenting applications that are of interest both in their own right and in terms of demonstrating how thermodynamics, as a theory of principle, relates to different fields. In turn, the third part focuses on non-equilibrium configurations and the dynamics of natural processes. It discusses both discontinuous and continuous systems, highlighting the interference among non-equilibrium processes, and the nature of stationary states and of fluctuations in isolated systems. Lastly, part four introduces the relation between physics and information theory, which constitutes a new frontier in fundamental research. The book includes step-by-step exercises, with solutions, to help readers to gain a fuller understanding of the subjects, and also features a series of appendices providing useful mathematical formulae. Reflecting the content of modern university courses on thermodynamics, it is a valuable resource for students and young scientists in the fields of physics, chemistry, and engineering.

The Electronic Transitions of Molecular Oxygen (Hardcover, 1st ed. 2019): Mikkel Bregnhoj The Electronic Transitions of Molecular Oxygen (Hardcover, 1st ed. 2019)
Mikkel Bregnhoj
R2,873 Discovery Miles 28 730 Ships in 10 - 15 working days

This book presents the fundamentals and the state of the art of the photophysics of molecular oxygen. The author examines optical transitions between the lowest-lying electronic states in molecular oxygen and how these transitions respond to perturbation, either from an organic molecule or from the plasmon field of a metal nanoparticle. We live on a planet filled with light and oxygen. The interaction between these two components forms the basis of excited state chemistry spanning the fields of synthetic organic chemistry, materials chemistry, molecular biology, and photodynamic treatment of cancer. Still, the fundamental ways in which oxygen is affected by light is an active subject of research and is continually being developed and rationalized. In this book, readers will learn that singlet oxygen, the excited state of oxygen that exhibits unique chemical reactivity, can be selectively made via direct optical excitation of oxygen in a sensitizer-free system. Readers will also discover that this approach can perturb living cells differently depending on the singlet oxygen "dose".

Nanoenergy - Nanotechnology Applied for Energy Production (Hardcover, 2nd ed. 2018): Flavio L Souza, Edson R Leite Nanoenergy - Nanotechnology Applied for Energy Production (Hardcover, 2nd ed. 2018)
Flavio L Souza, Edson R Leite
R5,037 Discovery Miles 50 370 Ships in 12 - 19 working days

This book discuss the recent advances and future trends of nanoscience in solar energy conversion and storage. This second edition revisits and updates all the previous book chapters, adding the latest advances in the field of Nanoenergy. Four new chapters are included on the principles and fundamentals of artificial photosynthesis using metal transition semiconductors, perovskite solar cells, hydrogen storage and neutralization batteries. More fundamental aspects can be found in this book, increasing the comparison between theory-experimental achievements and latest developments in commercial devices.

A Network-Based Approach to Cell Metabolism - From Structure to Flux Balances (Hardcover, 1st ed. 2017): Oriol Guell A Network-Based Approach to Cell Metabolism - From Structure to Flux Balances (Hardcover, 1st ed. 2017)
Oriol Guell
R3,467 Discovery Miles 34 670 Ships in 12 - 19 working days

This thesis uses a systems-level approach to study the cellular metabolism, unveiling new mechanisms and responses that were impossible to reach with traditional reductionists procedures. The results reported here have a potential application in areas like metabolic engineering and disease treatment. They could also be used in determining the accuracy of the gene essentiality of new genome-scale reconstructions. Different methods and techniques, within the contexts of Systems Biology and the field known as Complex Networks Analysis have been applied in this work to show different features of the robustness of metabolic networks. The specific issues addressed here range from pure topological aspec ts of the networks themselves to the balance of biochemical fluxes.

Rheology of Emulsions, Volume 22 - Electrohydrodynamics Principles (Paperback): Aleksandar M. Spasic Rheology of Emulsions, Volume 22 - Electrohydrodynamics Principles (Paperback)
Aleksandar M. Spasic
R3,907 R3,637 Discovery Miles 36 370 Save R270 (7%) Ships in 12 - 19 working days

Rheology of Emulsions, Volume 22: Electrohydrodynamics Principles studies phenomena at liquid-liquid interfaces, including finely dispersed particles or structures, in particular emulsions, double emulsions and biological cells. The book considers the forces of electrical origin that participate in the physical events at liquid-liquid interfaces, taking into account electron transfer phenomenon and electrodynamics principles. Topics covered are of interest to a broad range of scientists, researchers and graduate students with a basic knowledge of physical chemistry, electromagnetism, fluid mechanics, classical and quantum electrodynamics. The implications and applications of the material presented in the book contribute to the advanced fundamental, applied and engineering research of interfacial electroviscoelastic phenomena.

Enzymatic Bioelectrocatalysis (Hardcover, 1st ed. 2021): Kenji Kano, Osamu Shirai, Yuki Kitazumi, Kento Sakai, Hong-Qi Xia Enzymatic Bioelectrocatalysis (Hardcover, 1st ed. 2021)
Kenji Kano, Osamu Shirai, Yuki Kitazumi, Kento Sakai, Hong-Qi Xia
R3,611 Discovery Miles 36 110 Ships in 10 - 15 working days

This book covers the fundamental aspects of the electrochemistry and redox enzymes that underlie enzymatic bioelectrocatalysis, in which a redox enzyme reaction is coupled with an electrode reaction. Described here are the basic concept and theoretical aspects of bioelectrocatalysis and the various experimental techniques and materials used to study and characterize related problems. Also included are the various applications of bioelectrocatalysis to bioelectrochemical devices including biosensors, biofuel cells, and bioreactors. This book is a unique source of information in the area of enzymatic bioelectrocatalysis, approaching the subject from a cross-disciplinary point of view.

Advances in Quantum Chemistry, Volume 77 (Hardcover): John R. Sabin, Erkki J. Brandas Advances in Quantum Chemistry, Volume 77 (Hardcover)
John R. Sabin, Erkki J. Brandas
R5,585 Discovery Miles 55 850 Ships in 12 - 19 working days

Advances in Quantum Chemistry, Volume 77, presents surveys of current topics in this rapidly developing field, one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. It features detailed reviews written by leading international researchers, with this release focusing on topics such as Per-Olov Loewdin's Impact on a 'Lost Son', Electron impact ionization cross sections for inner L- and M-subshells of atomic targets at relativistic energies, Aromaticity Revisited, Electron-atom and electron-molecule resonances, Precise Born-Oppenheimer potentials of the excited states of H_2 using explicitly correlated exponential functions, and more.

Reviews in Computational Chemistry V14 (Hardcover, Volume 14): KB Lipkowitz Reviews in Computational Chemistry V14 (Hardcover, Volume 14)
KB Lipkowitz
R8,194 Discovery Miles 81 940 Ships in 10 - 15 working days

THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER
* HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS,
* HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND
* HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES.
* A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY.
* ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE. FROM REVIEWS OF THE SERIES
"Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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