Book Description

GENERAL DESCRIPTION OF THE SERIES
Physics of Thin Films is one of the longest running continuing series in thin film science, consisting of 25 volumes since 1963. The series contains quality studies of the properties of various thin films materials and systems.
In order to be able to reflect the development of today's science and to cover all modern aspects of thin films, the series, starting with Volume 20, has moved beyond the basic physics of thin films. It now addresses the most important aspects of both inorganic and organic thin films, in both their theoretical as well as technological aspects. Therefore, in order to reflect the modern technology-oriented problems, the title has been slightly modified from Physics of Thin Films to Thin Films.

GENERAL DESCRIPTION OF THE VOLUME
This volume, part of the Thin Films Series, has been wholly written by two authors instead of showcasing several edited manuscripts. ... Read more

Book Description

The most comprehensive reference in the field, Handbook of Heterogeneous Catalytic Hydrogenation for Organic Synthesis provides synthetic chemists and chemical engineers in fine chemicals and pharmaceuticals with detailed experimental guidelines for heterogeneous catalytic hydrogenation. Organized by functional groups for ready reference and featuring detailed examples of hundreds of reactions, this handbook covers hydrogenations of alkenes, alkynes, aldehydes and ketones, nitriles, imines, nitro and nitroso compounds, carboxylic acids and esters, and aromatic and heterocyclic compounds. In addition, coverage includes the preparation of amines by reductive alkylation and the hydrogenolysis of a variety of compounds. Examples of hydrogenation of functional groups and reaction pathways are illustrated with numerous equations and schemes.

Practitioners will appreciate the plenitude of experimental details given for most of the reactions selected, including amounts of reagents and catalysts, reaction temperatures, hydrogen pressures, and reaction times. They will also find helpful the more than one hundred tables included throughout the book detailing the effects of key factors governing rate and selectivity, such as compound structure, the nature of catalysts and supports, and the nature of solvents. Researchers will benefit from the introductory chapters covering an array of hydrogenation catalysts, including nickel, cobalt, copper, iron, platinum group metals, rhenium, and other oxide and sulfide catalysts, as well as reactors and reaction conditions. ... Read more

Book Description

This new edition of the best-selling handbook gives a complete and concise description of the latest knowledge on nuclear and radiochemistry as well as their applications in the various fields of science. It is based on over 40 years experience in teaching courses and research.
The book is aimed at all researchers seeking sound knowledge about the properties of matter, whether chemists, physicists, medical doctors, mineralogists or biologists. All of them will find this a valuable source of information.
Research in radiochemistry includes: Study of radioactive matter in nature, investigation of radioactive transmutations, chemistry of radioelements etc. Applications include: Radionuclides in geo- and cosmochemistry, dating by nuclear methods, radioanalysis, Mössbauer spectroscopy and related methods, behavior of natural and man-made radionuclides in the environment, dosimetry and radiation protection.
All the subjects are presented clearly and comprehensibly, and in a logical sequence, avoiding detailed derivations of equations. The relevant information is compiled in tables and the recent edition of the multi-colored Karlsruhe 'Chart of the Nuclides' has also been included.
Clearly a standard work by an author with extensive experience in research and teaching.

... Read more

Book Description

Molecular Sieves - Science and Technology will cover, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. Authored by renowned experts, the contributions will be grouped together topically in such a way that each volume of the book series will be dealing with a specific sub-field. Volume 2 covers both the description of the various, complementary techniques for structure determination of microporous and mesoporous matter and their applications illustrated by a large number of pertinent examples. It also deals with general aspects of structures and structure distortions of microporous materials. In summary, Volume 2 provides the researchers in the field of zeolites and related materials with the indispensable knowledge of the great potential of modern methods for structure analysis. ... Read more

Book Description

Derived from the renowned, Encyclopedia of Reagents for Organic Synthesis (EROS), the related editors have created a new handbook which focuses on chiral reagents used in asymmetric synthesis and is designed for the chemist at the bench. This new handbook follows the same format as the Encyclopedia, including an introduction and an alphabetical arrangement of the reagents.

As chiral reagents are the key for the successful asymmetric synthesis, choosing the right reagents is essential, in this handy reference the editors give details on how to prepare, store and use the reagents as well as providing key reactions to demonstrate where reagents have been successfully used.

• Comprehensive information on 226 reagents
• Covers 64 reagents which were not included in EROS
• All information in one easy to use volume – at an affordable price 

All reagents included will be added to e-EROS – please visit the site where you can gain access to over 50,000 reactions and 3,800 of the most frequently consulted reagents.

Visit: www.interscience.wiley.com/eros ... Read more

Book Description

This classic text continues to familiarize students with the fundamentals of colloid and surface science from various types of colloids and colloidal phenomena and classical and modern characterization measurement techniques to applications of colloids and surface science in engineering, technology, chemistry, physics, and biological and medical sciences. ... Read more

Reviews (4)

Highly recommended
I have never taken colloidal chemistry in college. So, when I had to pick this topic up to understand the dispersion system I was working on at work, I was fortunate enough to find this book. This book taught me everything I needed to know about colloidal systems. It's well organized and intuitive. Highly recommended for students in the field

An excellent introduction to surface and interfacial phenome
As a teacher of these topics I found this book an excellent one.A very good coverage of fundamentals such as surface and interfacial tension,intermolecular and colloidal interactions, colloidal stability, liophobic and liophylic colloids,electrokinetics phenomena. All these complex topics and more are treated in a very clear and rigorous way. I strongly reccomend this book.

A great book!
This is an excellent, first-level introduction to colloids and is better than any others available in the market. The vignettes in the book alone are worth the price! Suitable for self-study!

An Excellent Textbook
This is an excellent textbook for both undergraduate courses (for which it is intended) and for first-year graduate courses. The new edition contains new material on recent developments in colloid science and instrumental techniques, polymer-induced forces, rheology of dispersions and scattering techniques. The many 'Vignettes' included in this edition bring out the interdisciplinary nature of the subject, its impact in medical and biological sciences as well as in numerous engineering areas, and the exciting aspects of colloid science that are not highlighted in other textbooks. There are numerous worked-out examples, review questions at the end of each chapter and annotated references. Highly recommended. ... Read more

Book Description

Designed for scientists and engineers involved in the chemistry and technology of antioxidants, the Second Edition of this popular handbook continues to provide comprehensive data on the thermodynamics and reactivity of antioxidants. Fully revised and updated, the Second Edition provides the latest data on antioxidants and polymer stabilizers, new data for biological antioxidants, a corrected list of bond dissociation energies, and a full bibliography.Additions and changes in the New Edition:·The latest data on O-H bond dissociation energies of phenols and the new scale these values·Thermodynamic functions of antioxidants and their intermediate presented in tables·A table with current data on dissociation energies of C-H bonds of hydrocarbons and oxygen-containing compounds·Rate constants and activation energies of reactions of antioxidants with ozone, nitrogen dioxide, and hydroperoxide·Kinetic characteristics of benzoquinine reactions with antioxidants·Rate constants of free radical generation through biomolecular reactions with ozone, nitrogen dioxide, and hydroperoxide ·All calculated data from the first edition has been recalculated in accordance with new data on dissociation energies and parameters of reactivity·Data on thermodynamics of hydrogen bond formation of antioxidants·All data on cyclic mechanisms of chain termination by antioxidants collected into a special chapter·Special chapters on bioantioxidants and stabilization of polymersThe Handbook of Antioxidants puts essential data at your fingertips. Its comprehensive nature and ease-of-use make it the resource for scientific researchers and engineers working in the field of physical chemistry of antioxidants. ... Read more

Book Description

Principles of Adsorption and Reaction on Solid Surfaces

As with other books in the field, Principles of Adsorption and Reaction on Solid Surfaces describes what occurs when gases come in contact with various solid surfaces. But, unlike all the others, it also explains why. While the theory of surface reactions is still under active development, the approach Dr. Richard Masel takes in this book is to outline general principles derived from thermodynamics and reaction rate theory that can be applied to reactions on surfaces, and to indicate ways in which these principles may be applied. The book also provides a comprehensive treatment of the latest quantitative surface modeling techniques with numerous examples of their use in the fields of chemical engineering, physical chemistry, and materials science. A valuable working resource and an excellent graduate-level text, Principles of Adsorption and Reaction on Solid Surfaces provides readers with:
* A detailed look at the latest advances in understanding and quantifying reactions on surfaces
* In-depth reviews of all crucial background material
* 40 solved examples illustrating how the methods apply to catalysis, physical vapor deposition, chemical vapor deposition, electrochemistry, and more
* 340 problems and practice exercises
* Sample computer programs
* Universal plots of many key quantities
* Detailed, class-tested derivations to help clarify key results

The recent development of quantitative techniques for modeling surface reactions has led to a number of exciting breakthroughs in our understanding of what happens when gases come in contact with solid surfaces. While many books have appeared describing various experimental modeling techniques and the results obtained through their application, until now, there has been no single-volume reference devoted to the fundamental principles governing the processes observed.

The first book to focus on governing principles rather than experimental techniques or specific results, Principles of Adsorption and Reaction on Solid Surfaces provides students and professionals with a quantitative treatment of the application of principles derived from the fields of thermodynamics and reaction rate theory to the investigation of gas adsorption and reaction on solid surfaces. Writing for a broad-based audience including, among others, chemical engineers, chemists, and materials scientists, Dr. Richard I. Masel deftly balances basic background in areas such as statistical mechanics and kinetics with more advanced applications in specialized areas.

Principles of Adsorption and Reaction on Solid Surfaces was also designed to provide readers an opportunity to quickly familiarize themselves with all of the important quantitative surface modeling techniques now in use. To that end, the author has included all of the key equations involved as well as numerous real-world illustrations and solved examples that help to illustrate how the equations can be applied. He has also provided computer programs along with universal plots that make it easy for readers to apply results to their own problems with little computational effort.

Principles of Adsorption and Reaction on Solid Surfaces is a valuable working resource for chemical engineers, physical chemists, and materials scientists, and an excellent text for graduate students in those disciplines. ... Read more

Reviews (4)

Good book
It's a textbook for a course I'm taking, and I find it a good enough book... Useful, if not the most exciting thing I've ever read ;)

Good Review, Poor Writing/Editing
This text goes over most of the key concepts of surface reactions, but the large number of typos make it hard to read.

An excellent text book for surface chemist
This is a very comprehensive book on surface chemistry. It explains basic concept and related experimental results very well. The only thing I don't like is that he spent too much on his own theory on chemisorption, which still needs experimental proof. Nevertherless, this is a must if you intend to do some reserch on surface catalytic reactions.

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Book Description

Integrating many new computer-oriented examples and problems throughout, this modern introduction to quantum chemistry covers quantum mechanics, atomic structure, and molecular electronics, and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties.Covers such areas as the Schrödinger Equation, harmonic oscillator, angular momentum, hydrogen atom, theorems of quantum mechanics, electron spin and the Pauli Principle, the Virial Theorem and the Hellmann-Feynman Theorem, and more. Contains solid presentations of the mathematics needed for quantum chemistry, clearly explaining difficult or subtle points in detail. Offers full, step-by-step examinations of derivations that are easy to follow and understand. Offers comprehensive coverage of recent, revolutionary advances in modern quantum-chemistry methods for calculating molecular electronic structure, including the ab initio and semiempirical methods for molecular calculations. Now integrates over 500 problems throughout, with a substantial increase in the amount of computer applications, and fully updated discussions of molecular electronic structure calculations.For professionals in all branches of chemistry. ... Read more

Reviews (9)

Excellent textbook for Quantum Chemistry
quantum chemistry a special field of the quantum-mechanical theory has always been a very tricky course for all the chemistry students around the world, because of the demanding mathematical background they have to possess in order to comprehend the extremely difficult concepts and applications of
the best - up to now - theory we have to understand phenomena at the atomic and molecular level.
This textbook is the best i know in the field because Pf.
Ira Levine provides the necessary Maths in a really instructive way which chemists will appreciate with a great relief!
All the mathematics they will need is contained in this book
so they won't have to study it from a different sourse , wasting time and getting disappointed!
On the other hand, the order of the chapters is excellent
and the problems at the end of each chapter solidify your understanding of what you have already read during the chapter.
There are also answers to selected problems at the end of the book
I higly recommend this textbook to all the chemists who would love to really understand Quantum Chemistry!

I like it
writen by a teacher, with a great teaching art. As a beginner ( satellite engineer) , it provides me a clear first understanding of how atomic & molecular waves functions are computed. I appreciate the approach, very oriented to understanding the computation aspects. I agree that symmetry introduction should be more developped. References are systematically documented (in the text). Gives me understanding of "basic" explanations which are usually only shortly referenced in many other chemistry books I open.

Amazing book!
I am amazed at the sheer depth of detail that Levine succeeds in conveying while somehow keeping the subject highly organized and extremely readbale. Like a good teacher, he has a knack for anticipating your questions and problems and addresses them. He also seems to know exactly which points deserve attention and emphasis, and which odn't. His constant referencing of previous equations even when not absolutely necessary minimizes the student's chance of getting lost or forgetting previous material and not remember where to find it again. Very mathematical, but all required mathematics are expertly reviewed before being introduced. My only complaints are a few critical typos in the angular momentum section, and the fact that that section and the section on symmetry could have been more clearly presnted (especially the section on symmetry!). But overall, nobody's perfect, and this is as close as you get. Definitely a class about Lowe's textbook.

The best introductory book for learning Quantum Chemistry
This is the best introductory book for learning Quantum Chemistry.Especially for those who are not particularly mathematically inclined,or even for those who are, this book is simply great.It starts with an introduction to the Schrodinger's equation.The most important fact is that, after this introduction, the author leads us through a range of wide topics in which the mathematical preliminaries are first explained.Whether it is differential equations or power series solutions, the author carefully guides you through everything.That makes the book self contained.Further on, there's a wonderful chapter on Angular Momentum.In later chapters,we get a very good introduction to most of the important approximation methods and other computational methods used in modern Quantum Chemistry.This includes the variational method, perturbation theory, Hartree-Fock methods,and an enlightening chapter on the Feynman-Hellman theorem.The book ends with a look at computational methods like GAUSSIAN programs which are used routinely today in electronic structure calculations. I would very strongly recommend the book to anyone who is interested in learning what molecular structure is about.

Remember !! Quantum CHEMISTRY not MECHANICS
Want to know more about Quantum Mechanics? Then this is not the book for you. This book is about Quantum Chemistry!!! It's about SCF, MINDO, INDO and other alien-sounding acronyms. Buy this book only if you wish to know what goes on behind these ubiquitous GAUSSIAN and other computational chemistry softwares. ... Read more

Book Description

Inorganic Chemistry easily surpasses its competitors in sheer volume and depth of information. Readers are presented with summaries that ease exam preparation, an extensive index, numerous references for further study, six invaluable appendixes, and over 150 tables that provide important data on elements at a quick glance.

Now in its 101st printing, Inorganic Chemistry provides an authoritative and comprehensive reference for graduate students, as well as chemists and scientists in fields related to chemistry such as physics, biology, geology, pharmacy, and medicine.

Translated for the first time into English, Holleman and Wiberg's book is a bestseller in Germany, where every chemist knows and values it. Prior to this translation, there was no equivalent to Holleman and Wiberg's book in English. ... Read more

Book Description

In light of recent alarming environmental trends combined with increasing commercial viability of fuel cells, the time is propitious for a book focusing on the systematic aspects of cell plant technology. This multidisciplinary text covers the main types of fuel cells, R&D issues, plant design and construction, and economic factors to provide industrial and academic researchers working in electrical systems design, electrochemistry, and engineering with a unique and comprehensive resource. ... Read more

Reviews (1)

Review of Fuel Cell Systems edited by Blomen and Mugerwa
Fuel Cell Systems is an exellent compilation by sixteen authors who are experts in their fields. It covers not only the details of the electrochemistry and thermodynamics of fuel cells but also the economics and limitations of fuel cell sytems. It also has excellent chapters on fuel processing and details on each different type of fuel cell. There is a history of fuel cells at the beginning of the book and a section of marketing at the back so it covers all areas that one could be interested in. The editors made one chapter logically lead to the next and included a good index at the end. I would recommend this book to anyone who needs to understand the technical aspects of fuel cells and their applications. Since fuel cell technology is advancing very quickly and the book was printed in 1993 it does not include the very latest developments but the principles it explains are applicable to almost any system. ... Read more

Book Description

The new edition of the cornerstone text on electrochemistry

Electrochemistry represents a dynamic field with many applications in today’s industrial economy: batteries and fuel cells; production and refining of metals and chemicals; fabricating of electronic materials and devices; operation of sensors; and understanding nerve action and drug delivery. The understanding and design of electrochemical systems is both fascinating and challenging because of the simultaneous interplay of mass transport, fluid dynamics, charge transport, electrochemical kinetics, and thermal effects.

The recognized standard of the field, Electrochemical Systems thoroughly covers a wide range of systems and topics in electrochemical engineering. Newly updated and expanded, the Third Edition of this cornerstone text features:

• Rigorous and complete presentation of the fundamental concepts
• In-depth examples applying the concepts to real-life design problems
• Homework problems ranging from the reinforcing to the highly thought-provoking
• Extensive bibliography giving both the historical development of the field and references for the practicing electrochemist

Suitable for serious study and application, the material presented spans all the major areas of electrochemistry, from the basics of thermodynamics and electrode kinetics to transport phenomena in electrolytes, metals, and semiconductors. Revisions and additions in this Third Edition cover important new treatments, ideas, and technologies while also increasing the book’s accessibility for readers in related fields. Electrochemical Systems, Third Edition offers researchers, developers, and advanced students an essential update of this benchmark reference. ... Read more

Book Description

A new collection of authoritative contributions on the state of the art of electrochemical deposition
Since the last edition of Modern Electroplating was published over a quarter century ago, electrochemical deposition has evolved into a mature science, with many new and potential applications. To address these developments, Modern Electroplating, Fourth Edition presents an entirely new collection of contributions on a wide range of cutting-edge topics, from electrodeposition of semiconductors to environmental considerations.
Geared to experienced deposition practitioners and novices alike, the new edition provides clear, thorough, up-to-date explanations of the principles and applications of highly relevant deposition techniques. It not only replaces the Third Edition, a very useful resource on electroplating processes, but, in addition, highlights the transition in the electronics industry from physical to electrochemical methods, especially with regard to next-generation technologies such as copper interconnect. Coverage includes:
* Electrodeposition of various metals and metal alloys
* Electrodeposition of semiconductors and electrodeposition on nonconductors
* Electrodeposition of conductive polymers
* Electroless deposition of various metals and alloys
* Preparation procedures for deposition
* Manufacturing technologies, monitoring, testing, and control
* Deposition and the environment ... Read more

Reviews (1)

Plating
This a good book because I can get so much technology of elektroplating in this book, especially the solution of plating that this book give. ... Read more

Book Description

This is an introduction to statistical mechanics, intended to be used either in an undergraduate physical chemistry course or by beginning graduate students with little undergraduate background in the subject. It assumes familiarity with thermodynamics, chemical kinetics, the kinetic theory of gases, quantum mechanics and spectroscopy, at the level at which these subjects are normally treated in undergraduate physical chemistry. Highly illustrated with numerous exercises and worked solutions, it provides a concise, up-to-date treatise of statistical mechanics and is ideally suited to use in one semester courses. ... Read more

Book Description

This useful reference offers in-depth coverage of the fundamental principles of solute partitioning in aqueous two-phase systems, explains their important practical features, and furnishes methods of characterization. ... Read more

Book Description

This Second Edition of Modern Electrochemistry 1 includes everything that made the First Edition a classic -- rigor, clarity, and completeness -- but it has been thoroughly revised to include: -- the modern theory of ion-solvent interactions -- new methods for determining transport numbers -- room temperature liquid electrolytes -- computer simulation and new spectroscopies, and -- an updated bibliography. Problem set, explanatory diagrams, derivations of equations, and appendixes make this book an excellent undergraduate text and a useful reference for professionals. ... Read more

Reviews (3)

Excellent text and reference
The Modern Electrochemistry volumes are truly excellent textbooks and references for all aspects of electrochemistry.
Whether you're dealing with corrosion, electrolytic processes, batteries, or biochemistry, the electrochemistry is fully explained here. The authors go into a great deal of detail topics while maintaining a very familiar, easy-to-read tone. There are also plenty of interesting historical footnotes which serve to lighten the text.

These books are written for electrochemists interested in the chemical mechanisms behind electrochemical processes. Applications of these processes are treated very briefly. If you are more interested in real-world applications of these processes, other texts may serve you better.

The text comes in three volumes, which is problematic. It is difficult to find all three at most booksellers. Many online booksellers (including Amazon) don't distinguish between the volumes in their catalogs; I had to go by ISBN numbers to ensure I got the complete set. But it was well worth the trouble.

A Bible of Electrochemistry Education

The difference of this second Ed. from the first one is huge; the author actually rewrote ca. 50% of the first volume (Ionics) and ca. 70% of the second volume (Electrodics, still in writing), covering literature up to later 90's.

For classroom use, the most important addition of the edition is the problem set, which are extremely helpful for students on introductory level.

It was a great honor of me to be invited by the author to write part of the problem sets for all chapters in Vol.1 and a few chapters in Vol.2, and I can tell you that the author and the problem writers put in a lot of effort to elucidate the fundamental electrochemistry while also help original thinkings of the students on more advanced electrochemistry issues.

The best introductory book in Electrochemistry
This book By Bockris and Reddy, is the best book you can hope to lay your hands, if you are looking for an good introduction and thorough description of the fundamentals. This is definetely one book, or rather two books which no library should be without, including libraries of graudate students. The style of the authors is extremely simple, and reading this book is like reading a story book. you would find it quite difficult to keep the book down once you have picked it up.

An absolutely fantastic book, though slightly on the costlier side. ... Read more

Book Description

Hailed by advance reviewers as "a kinder, gentler P. Chem. text," this book meets the needs of a one-semester course or a full-year course in physical chemistry. It is an ideal choice for classes geared toward pre-medical and life sciences students. Or, as stated in a May 2001 review in Journal of Chemical Education, "this text meets these students where they are and opens the door to physical chemistry from a perspective they can appreciate."Physical Chemistry for the Chemical and Biological Sciences offers a wealth of applications to chemical and biological problems, numerous chapter-ending exercises, and an accompanying solutions manual. Well known for his clear writing and careful pedagogical approach, Raymond Chang has developed yet another masterpiece in chemical education. ... Read more

Book Description

Introduction to Computational Chemistry Frank Jensen Odense University, Denmark Computational chemistry is a rapidly emerging and developing area, combining theoretical models with computers to investigate a variety of chemical phenomena. Increasingly applied throughout chemistry, computational methods are becoming an integral part of modern chemical research. Introduction to Computational Chemistry provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to sophisticated quantum models. Although the main focus is on molecular structures and energetics, subjects such as molecular properties, dynamical aspects, relativistic methods and qualitative models are also covered. Introduction to Computational Chemistry features:
* Coverage from first principles through to the latest advances.
* Relatively self-contained chapters, allowing for flexibility in the order in which they can be read.
* A web site containing additional information.
Suitable for students and researchers entering the field of computational chemistry, it is also an essential reference for procedures commonly cited in computational chemistry literature. No prior knowledge of concepts specific to computational chemistry is necessary, although some understanding of introductory quantum mechanics and elementary mathematics is assumed. ... Read more

Reviews (4)

You can not expect that much from this book
Well, this book is a must-read for those who perform ab initio calculations. If you have enough quantum chemistry background, then this book is a good reference for your electronic structure calculations. However, you can not expect that you can learn HF, MPn, CC, CASSCF, CI, SE, etc., from this book. I think the reason for this book being so popular is because there is lack another one of the same introductory level. This book is not simple enough for a beginner as well as not deep enough for advanced readers. It does not discuss all the topic covered in the book in detail (maybe the capter of basis set is the only exception). This book is also lack of a chaper for calculating thermodynamic properties based on ab initio results. Anyway, this book may fill some gaps of my knowledge on ab initio calculations, but I do not enjoy reading it because it never helps to understand the principle of ab initio. For those who want to learn quantum chemistry/ab initio calc., this is absolutely NOT the one. Levine's quantum chemistry (5th) and modern quantum chemisty are the books written in much better style. For MM, TST/statistical mechanics chapters, which should be removed and leave more space for ab initio, I agree with other reviewers.

Worthwhile purchase
Provides an excellent overview of quantum mechanical computational chemistry methods. Discusses semiempirical, wave mechanics and density functional approaches in great detail. Also goes a good job discussing basis sets, optimization methods etc. Unfortunately, much less attention is given to other computational methods such as molecular mechanics. If one desires an overview of the entire compuational chemistry field, I reccommend Molecular Modeling by Leach. If your interests lie primarily in QM methods, this book has a more complete discussion of these methods than Leach's text.

A nice book
For a brief, general introduction to Computational Chemistry I prefer Grant & Richards', and for a deeper, detailed description of the whole filed, Leach's. Jensen is mainly oriented towards 'ab initio' methods with a touch of Molecular Mechanics.
This book starts with a short introduction to Molecular Mechanics and Dynamics, and then moves on to 'ab initio' Quantum Chemistry methods, to which it is mainly devoted and where it extends in greater detail. There, it becomes an excellent and deeper introduction to all the methods of Quantum Chemistry, and gets its true value.
Detailed descriptions of the different levels of theory, basis sets, density functional theory, semiempirical methods, relativistic methods, etc... make it an excellent introductory reading. Math coverage is just enough to undertand what is going on and how it will affect the computation, but not enough to help you write or design your own software.
There are lots of examples along the book used to illustrate the points, and an invaluable chapter comparing the different methods, their accuracy and performance and their utility in different calculations. The book carefully avoids tying to specific software packages and keeps examples on a higher level thus maintaining its applicability and generality. This is a good book for those mainly interested in Quantum Methods, wishing to learn about them, how they work and how they are applied in practice, as well as how they are implemented and what this will cost in computability and computer time. The initial chapters on MM and MD are detailed enough to provide a starting link to the methods used for more complex molecular systems.

Introduction to Computational Chemistry
This informative textbook from Jensen provides a comprehensive review of methods in computational chemistry. The equations are kept to a minimal level to ensure a focus on methodology, as opposed to pure math. This text would suit any higher level undergraduate theoretical course. ... Read more

Book Description

Throughout chemistry, computational techniques are becoming increasingly important. Problem solving and modelling is quickly achievable but as the power of computers increases so does the complexity of the tasks and the speed at which they are solved.
A basic understanding of the theory and concepts underpinning computational chemistry is therefore essential to all chemical science students, and Essentials of Computational Chemistry: Theory and Models delivers a thorough insight in a readable and approachable manner.

• Accessible as a text to advanced undergraduate students as well as graduate students
• Emphasises the basic concepts and applications rather than theory and mathematics
• Firmly places the subject in context, including many examples and applications
• Includes coverage and examples from inorganic, organic and biological chemistry and covers quantum mechanical and classical mechanical models
• Includes case histories that serve as an ideal basis for classroom discussion
• Delivers information in a readable and approachable manner

  
  

  
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  Reviews (1)

  Chemistry by computers: an excellent introduction
  Cramers' book is an excellent introduction to the field of computational chemistry. The book is organized in 15 chapters. Chapter 1 gives you a general overview on the interplay between Theory, Computation and Modeling. The next two chapters are devoted to molecular mechanics (ch. 2) and to simulation of molecular ensembles (ch. 3), namely molecular dynamics and Monte Carlo methods, which are necessary for a better understanding of later chapters on condensed phases (see ch. 11 and 12). Note, however, that quantum chemical methods are the main subject of this book and if you want to learn more about molecular simulation (i.e. force field-based methods), you will need to consult books like Frenkel & Smit's "Understanding Molecular Simulation" or else. Chapter 4 lays the foundations of molecular orbital (MO) theory and is closely followed by ch. 5 (semiempirical methods) and 6 (ab initio Hartree-Fock MO method). Electron correlation methods are discussed in ch. 7 while ch. 8 is devoted to density functional theory (DFT), whose merits and demerits in solving molecular problems are being compared to MO theory (cf. paragraph 8.5). The remaining six chapters discuss about charge distribution and spectroscopic properties (ch. 9), thermodynamic properties (ch. 10), implicit (ch. 11) and explicit (ch. 12) models for condensed phases, hybrid QM/MM methods (ch. 13), excited electronic states (ch. 14), and adiabatic reaction dynamics (ch. 15). At first sight, the book contains a lot of good written text, meaning that the author has placed special care in writing a book for beginners. This, however, does not mean that more experienced person should not consult/read the book. On the contrary, the expert may refresh/integrate his or her knowledge by selecting specific chapters, each sufficiently self-contained. A praiseworthy aspect of this book is seen at the end of each chapter where you will find a "Case study", showing how the learned concepts can be exploited to solve real chemical problems, followed by the "suggested readings" and "references" sections. I rated this book with five stars since it is clearly written and well organized. This book's brother is Jensen's "Introduction to Computational Chemistry", which should be consulted in your next learning step. ... Read more