Molecular Modelling: Principles and Applications (2nd Edition)

Customer Reviews:

clear narrative of concepts.......2006-12-25

Leach explains how to do serious molecular modelling. Naturally, this has to be done by computer simulations. The text is a blend of the physical principles and equations needed, and how to implement as code. For example, there is the Lennard-Jones potential for intermolecular attraction. But modelling using this often also involves a cutoff. The problem with the latter is that it can create discontinuities in both the potential and the force [which is the derivate of the former]. You can shown how to suitably modify matters to avoid these complications.

Another familiar potential is the Morse potential, used to model bond stretching. Empirical but very useful, and in general quite adequate for most simulations.

The text even has an example of modelling a high temperature superconductor. Partly to enhance the relevance of the narrative for practical applications.

Comprehensive and self-contained.......2005-07-01

In this book, Andrew Leach has done a great job in putting in almost every important concept, sundry as well as significant, from the field of computational chemistry and molecular modeling. From basic but very useful concepts like atom types, Z matrices, and force field parametrization, to advanced topics like Ewald Sums and Low Mode Monte Carlo conformational searching, Leach gives due importance to everything. The discussions on quantum mechanics in the first few chapters are moderate on the mathematics without shying away from it, and provide just the right amount of detail. Later chapters cover the whole gamut of computational techniques, from Molecular Dynamics and Molecular Mechanics, to Moelcular Similarity and QSAR. Examples that are relevant in chemistry and biology are scattered throughout the book and illustrate every key idea. There are many good books for Computational Chemistry and Molecular Modeling, and some are good for a few topics, others for other ones. However, if one wants to get a grip on ALL important topics in the area, I think this is the most comprehensive reference that one can look up.

An excellent overview.......2004-06-04

Good:
This book gives an excellent overview of molecular simulation techniques starting with quantum mechanics ab initio type calculations and going up through molecular dynamics and polymer simulation. It gives a good step up from your standard physical chemistry text (such as Atkins or Chang) to being able to read the literature on modern molecular modelling techniques.

Bad:
The treatment of many methods is somewhat superficial.
The book was first written in 1996 and updated in 2000 - it is starting to get a bit out of date.

Overall I would recommend this as a solid introduction and reference.

The bible.......2003-02-12

If you could choose only one book about molecular modelling - this should be it. Everything is covered, more or less thourough, from ab initio to molecular docking, algorithms, force fields, molecular dynamics, etc. It is well written, but also works well if you want to look up single key words. The book can be read by novices to molecular modelling as well as it is useful for experts. I can highly recommend it.

Review by a molecular tyro.......2002-11-20

I'd like to recommend this book from the perspective of someone who is new to the field. I have only an informal background in chemistry and biology and an undergraduate physics degree that's 20 years old. Mr. Leach works through a broad range of material, from numeric solutions to the quantum equations for a molecule to algorithms for searching through the conformational space. His descriptions have to be concise in order to fit the enormous volume of material he has to cover, yet I found that I had no trouble following along. He often takes a historical approach. I found this effective. I would find myself wandering down blind alleys when examining the early solutions, then read the later art and have a greater appreciation for the problem than if the ultimate answer were presented first. I have been able to use much of the book as a practical guide in my work.

Book Description

Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text.

Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on:

· Transition path sampling and diffusive barrier crossing to simulaterare events
· Dissipative particle dynamic as a course-grained simulation technique
· Novel schemes to compute the long-ranged forces
· Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations
· Multiple-time step algorithms as an alternative for constraints
· Defects in solids
· The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules
· Parallel tempering for glassy Hamiltonians

Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.

Customer Reviews:

great book for MD basics.......2007-05-07

I was especially delighted about the Monte Carlo methods and the free energy calculation techniques.

Old fashioned fortran, strong bias on Monte Carlo.......2006-06-19

There is a very strong bias to MC methods in the book. What they have to say about Molecular Dynamics methods is not really new, most of it is virtually copied from the classic by Allan/Tildesley, and many MD techniques which they consider "advanced" (such as cell list methods, verlet tables, etc.) are shifted to one of the many appendices. They do not talk about ghostparticles for instance or give a detailed account of parallelized algorithms which is really state-of-the art today.
The code examples for download for the exercises, contain subtle errors, are not optimized for performance (which is THE most important thing in simulation business) and worst of all, are written in Fortran. The fact that they publish Fortran code must reflect the fact that at the time they learned how to program a computer there was no C, C++, JAVA, etc. and no object orientation in sight. Nowadays, probably no expert in programming would start a scientific and readable code in fortran. Also their definition of an algorithm is simply technically wrong. The authors are very sloppy here, have obviously no training in theoretical computer science and are obviously no experts for writing optimal code.
Scientifically, as far as physics is concerned, the book is sound, they give good arguments pro and against certain methods, but when you have already worked with Allan/Tildesley or Rappaport for many years you have the eery impression that they simply repeat many arguments from these books or from other research articles (They keep citing Allan/Tildesley a lot) Those things that are not more or less copied from other sources seems to reflect their own experience in this field which seems to be strongly limited to MC methods.
Although this book is sometimes praised I cannot really recommend it. Allan/Tildesley, and in particular the book by Rappaport are superior in stlye and in particluar as code examples are concerned. With Rappaport you get working code right away in proper C (albeit in Fortran-Style C -- again, the reason for this being the fact, that all these authors of Simulation books learned programming probably in the late 70's when Fortran was state-of-the-art). I nevertheless would recommend Rappaports book instead. The authors even offer scientific workshops based on their book (and probably make a lot of money with that). One can only hope that those are better than the coding examples of the exercises. Therefore only 2 stars.

Excellent text for beginners in simulation.......2004-11-20

Its an excellent book for those who are just beginners in MC & MD simulations. everything is very clearly explained with lot of examples and some related unsolved problems. the text explores this topic indetails with advanced chapters in later sections. Good for anybody int hsi field be it in materials science, physics or related fields.

Perfect for New Grad Students.......2002-11-24

This book is how I bootstrapped my way into being a molecular simulationist. Anyone who can program in some language can get started writing simple routines for the basic MD and MC simulations.

I do Monte Carlo simulations at Princeton, and found this book to be the most helpful available for getting my research started. It is my most common reference, and is used extensively in writing background information for various research documents.

However, after you have written your first few codes, you will pass the level of this book and need to move on. I use it less now than I did my first year.

Every student in my group (Panagiotopoulos) has this book I think. And like me, they started with it, but moved on.

A nice disappointment.......2001-08-30

The title of the book is overly ambitious and falls short on its promises. The book is a good introduction to Molecular Mechanics (MM), Molecular Dynamics (MD) and Monte Carlo (MC) methods, with detailed descriptions of the methods used and FORTRAN (pseudo)code, covering from the basics to some middle-level and some advanced algorithms.
But it does NOT cover all the fields of Molecular Modelling, just the three mentioned (MM, MD and MC), there's no coverage of quantum mechanics methods, nor QSAR or other technologies. And, while it described the algorithms, I can't think of it going all the way through up to building applications. For this, Rapaport's makes a better job, and for a general intro to Molecular Modelling, Grant & Richards' Computational Chemistry is more comprehensive (albeit at a more superficial level). Nor does it provide much detail on the methods used in modelling biological macromolecules, an increasing application field for the methods discussed in the book.
All in all, this book fails to satisfy its cover title, it won't introduce to the whole field (just the areas of MM, MD and MC) nor does it go up to application level. But it IS a REAL GOOD introduction to the subjects covered and their basic algorithms,
with sample code, detailed descriptions and plenty of references to specialized articles, texts and resources.

Electronic Structure: Basic Theory and Practical Methods

Average customer rating:

A Gr8 Book on DFT Concepts
Excellent book
Not impressive
Outstanding

Electronic Structure: Basic Theory and Practical Methods
Richard M. Martin
Manufacturer: Cambridge University Press
ProductGroup: Book
Binding: Hardcover

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ASIN: 0521782856

Book Description

The study of the electronic structure of materials is at a momentous stage, with the emergence of new computational methods and theoretical approaches. This volume provides an introduction to the field and describes its conceptual framework, the capabilities of present methods, limitations, and challenges for the future. Many properties of materials can now be determined directly from the fundamental equations of quantum mechanics, bringing new insights into critical problems in physics, chemistry, and materials science.

Customer Reviews:

A Gr8 Book on DFT Concepts.......2007-07-05

I like this book and would recommend it to any beginner into density functional theory. It explains all the modern electronic structure techniques in a rather simple language. Its much more easier and quicker than going into hundreds of papers and not knowing where to start.

The biggest issue with this book is a rather poor organisational structure to the book. That's why I've given it a 4/5 rating. There are some concepts that have been easily thrown in at the end, into the appendices.. and having to turn pages too frequently can be annoying.

But the good work has been done & I'd ask Mr Martin to re-organise the content.

This book has the potential to be a classic.

Excellent book.......2006-03-21

As a graduate student attempting to learn density functional theory and its use in computer programmes, I have found this book to be an excellent addition to my library. Well structured and written.

Not impressive.......2005-06-30

Although the topics the book embrasses are current and essential for practising chemists, physisists and materials scientists the pedagogic care with which it explains some of the topics is poor.

The author makes the assumption that the reader is familiarized with the heavy mathematical formalism and notation which is commonplace in specialized physics articles but fails to remember that graduate students that don't have a physics background, and come from other schools of thought such as chemistry, biochemistry or materials science, might be target readers.

For instance the book's introduction to Hartree-Fock theory must be the most complicated I've ever seen with constant recourse to Dirac's delta function (without even revealing its presence, stating simply that it should be there). The link between DFT and statistical thermodynamics although interesting is not essential for the heart of the discussion. Some classic program applications like Siesta are presented but you get the feeling that it's just for show off.

All in all if you're a physicist with some years of experience in the field of planewave computation you might find the book interesting.

Otherwise if you're a beginner like me forget it! The book by Efthimios Kaxiras (Atomic and Electronic Structure of Solids) is more revealing and pedagogic and supplies every detail in the mathematical formalism. Some physicists with a more chemical sensitivity such as Harrison, chemists such as Roald Hoffmann, Jeremy Burdett or Michael Springborg or materials scientists like Adrian Sutton or David Pettifor are better suited for the novice.

Outstanding.......2004-07-07

This book was recommended to me to help me in my research, and has turned out to be one of the best recommendations I have ever received. This is a great book; by far the best I have come across on the topic of computing the properties of condensed phase materials by quantum mechanical simulations. Here are the reasons why.

1. The chapters are well laid out and one chapter flows neatly to the next.

2. The math is kept to a minimum; the author makes a point of communicating important principles and ideas in concise sentences without resorting to derivations. This is ideal for engineers like me; who by training do not know that much math as compared to physicists who specialize in the solid state.

3. Important ideas are clarified up front. Many texts will lead the reader through long and windy paths of proofs and logic before arriving at the conclusion; thereby losing their reader in the process. Not here; important points are stated clearly at the beginning and at the end of each section.

4. Compare, contrast, and context. There are many ideas, models, approximations, and theorems that have been developed in the past century related to electronic structure. Many of these are closely related to each other in their inspiration, derivation, practice, and/or applications. This book makes the connections between the different concepts. For a non-expert reading through the electronic structure literature, terms like APW, OPW, PAW, LAPW, LMTO, etc... can be quite confusing if not placed within an overriding context. This book provides that context.

5. Good use of appendices. Electronic structure is a lot like politics; most practicioners in either field did not receive formal educations in the subject, but instead got into it under the apprenticeship of other people. This is reflected by a lot of literature by those who succeeded in the field; most of it good in showing of the authors' achievements, but generally useless in preparing the next generation of practicioners. For electronic structure, this is manifested by the many books that require prior knowledge of quantum, thermo, crystallography, mat sci, etc.. In effect, these books were written by experts to be read by other experts. Not this book. Basic ideas are kept in the text; and specific proofs and derivations are kept in the appendices. The result is a text that is much easier to read than most others.

6. The book is concept driven; not application driven. Most texts in materials simulations are actually a compilation of chapters written independently by multiple authors. Each chapter might be given a general title; but the text will be bias towards the research of its authors. For example, a chapter on surface calculations might focus entirely on adsorption, or relaxation/reconstruction, or optical properties; but surely not touching all these subjects. This book does not do this; each chapter is driven by basic concepts, and one concept leads to the next.

Book Description

A textbook for junior level Physical Chemistry courses or a senior level course in Quantum Chemistry. It assumes very little background in physics and mathematics. All necessary mathematical and physical concepts are introduced and developed in the text.

Customer Reviews:

A very nice starting point........2007-10-03

I think the point of the book was to prove to those interested how simple the math and concepts of introductory quantum chemistry really are. I think your average college sophomore in chemistry can pick up this book and get enough of an introduction to be capable of doing well in a physical chemistry course after reading it. I enjoyed it.

excellent book for undergrads.......2007-04-18

I'm not going to repeat what other reviewers have said other than to note that this book covers the mathematics of quantum in sufficient detail so that you're never lost. Quantum is hard enough as it is without authors skimping on explictness.

Other books for undergrad quantum chem:

Quantum Chemistry (5th Edition) by Ira N. Levine. 6th edition coming soon. This book is also strong.

Molecular Quantum Mechanics by Atkins, Friedman. I used an earlier version of this book and found it very confusing. Skips lots of steps in the math and writing as not as clear as it should be.

But you should get the dictionary by Atkins entitled "Quanta: A Handbook of Concepts". very helpful.

Can also try the classic "Introduction to Quantum Mechanics with Applications to Chemistry" by Linus Pauling, E. Bright Wilson, Jr. First published in 1935 but still viable after 70 years!

If you want to start with some simpler books look at:

Introduction to Quantum Mechanics (2nd Edition) by David J. Griffiths (ISBN 0131118927) first and then you may want to pick-up:

Quantum Mechanics for Chemists (Tutorial Chemistry Texts, 14) by David O. Hayward, ISBN: 0854046070
Quantum Mechanics 1: Foundations (Oxford Chemistry Primers, 48) by N.J.B. Green
Quantum Mechanics 2: The Toolkit (Oxford Chemistry Primers, 65) by N.J.B. Green

Look at my other reviews for other chemistry books.

Baby's First Quantum Chemistry Book.......2006-11-18

This is an excellent introduction to quantum chemistry. Mcquarrie writes clearly and makes quantum chemistry almost easy. It's not a graduate level text and any graduate courses using it will have to be heavily supplimented due to the limited range of subjects in the book. I have three quantum chemistry books: this, Levine, and Atkins (molecular quantum mechanics). Of the three this is the easiest to understand, followed by Levine and then by Atkins. My two gripes with this text is the limited range and the heavy skipping of derivations. Mcquarrie tries to baby-step the reader through his text but sometimes totally skips some derivations. Levine becomes easier to understand in that respect. I don't mind it if the author sometimes skips steps during a derivation, but when he leaves everything out, that doesn't help with the understanding. He states that they're easy and rightly, they are. But assuming too much about the ability of the student is not the hallmark of a teacher. Intro to quantum chem is simple enough a subject to not have to make such an assumption. Recommended for any undergrad chem/biochem/biology majors.

For beginners only.......2004-01-12

I disagree with the above assertion that this book is suitable for a graduate course. This book is the strained peas of the electronic structure library and is unsuitable for anyone with experience in the field or basic math. Levine's book is a better place to start, but far too thorough on the math. McQuarrie is at best 'cute', and certainly not worth more than $40.

I personally think the ESQC Summer School course books are the best thing available for learning quantum chemistry. Ultimately, though, all roads in QC lead through Ostlund and Szabo. If you want to learn ab initio, get Ostlund and Szabo, then read Parr's book on DFT. That should get you up to speed.

Rockin good fun..........2001-11-30

I'd say this book is an excellent book at both the graduate and undergraduate level. Contrary to one of the reviewers. It's very straightforward, and written with the less gifted 'physics' student in mind. It's not the only book you'll need, but it certainly helps understand all the rest of them.Meaning that derivations are crystal clear, and difficult math is actually worked out on almost every occasion. It's got really nice coverage of the basics, which leads up to the H atom, multielectron atoms and the variety of computational methods for use with them, and the same level of coverage with molecules. And there is a chapter on time dependent solutions, which I haven't yet read. It's even got pictures of studly physicists in it. I'd totally recommend this out of all the other quantum books I've encountered. Though you will need to supplement it with other books if you go deep into quantum. And there's some development of spin, but not the full deal. Angular momentum could have been treated a bit more thoroughly as well, for a graduate class. I think there is a snippet or two about bra-ket notation. But that's best learned from a nice quantum mechanics book really, none of the chemistry oriented books cover that aspect well, because it's really rooted more in the 'physics' interpretation of quantum. I'd also point out that the books I've seen that cover the theory exhaustively are pretty short on well worked out example problems, and are kind of hard to understand sometimes. Not the case with this book.

Book Description

Many research groups are now attempting to understand how the properties of systems ranging from small molecules to proteins and glasses are determined by the energy landscape. This book provides a self-contained account of energy landscape theory and how it is applied in studies of clusters, biomolecules and glasses. Beautifully illustrated in full color, the volume is geared to graduate students as well as professionals.

Customer Reviews:

A unique effort..........2006-02-19

Potential energy surfaces are instrumental in all aspects of nanoscale phenomena and they are well suited to be treated as a unifying theme for the study of chemical physics. In this respect, this book is unique... The topics it tackles, while interest to many researchers in manifold fields, have never been distilled into a single volume. And this first effort deserves kudos.

Each chapter(there are 10 chapters in the whole book)is supported with an exhaustive list of references and is reasonably self contained. Moreover, there is an immediate sense of coherence and the topical flow is rather well laid out. However, it is not a textbook with all that it implies. Wales provides a updated (as of the time of his writing (2003)) account of various topics, but none of them are treated assuming a classroom style. However, the reader is referred to the pertinent literature with valuable remarks as to what is to be found in which particular reference. The proofs to the equations are largely avoided but their origin and the physical implications are given a fair treatment. The required
mathematical background to follow the text is rather modest, while the wide spectrum of topics covered curbs its potential as a real page turner for the novice.

The illustrations are abound and in color which is a definitive plus. The binding and the paper quality is first class. The typeface is Donald Knuth`s Computer Modern with 11/14pt letter size, and this genuinely alleviates the reading process. My only quibble is the uneven quality of the images permeating the text as some of them have been culled from different sources.

I think the book serves its purpose very well and it is a good introductory exposition to a subject with utmost importance in nanoscience. I highly recommend it to anyone whose work involves materials science, chemisty or physics.

Can't get enough.......2004-04-11

Wales must have cloned himself multiple times in order to have found time to have written such a comprehensive book. I'll leave the science for people smarter than I to judge, but I'm giving it 5 stars based on its visual impact alone. I just can't get enough of his beautifully created graphics of undulating potential energy surfaces and cluster rearangement pathways (to name but two examples). Wales is showing us the elegance of his chosen field- and in a way that's simple enough for us dullards to appreciate. I wonder if he's considered a second career in designing topologically interesting furniture, upholstered in only the finest convex polyhedra. This book will no doubt become required reading for those in the molecular simulation community and will be especially ideal for those starting out on their phd's.

Book Description

The periodic table is one of the most potent icons in science. It lies at the core of chemistry and embodies the most fundamental principles of the field. The one definitive text on the development of the periodic table by van Spronsen (1969), has been out of print for a considerable time. The present book provides a successor to van Spronsen, but goes further in giving an evaluation of the extent to which modern physics has, or has not, explained the periodic system. The book is written in a lively style to appeal to experts and interested lay-persons alike. The Periodic Table begins with an overview of the importance of the periodic table and of the elements and it examines the manner in which the term 'element' has been interpreted by chemists and philosophers. The book then turns to a systematic account of the early developments that led to the classification of the elements including the work of Lavoisier, Boyle and Dalton and Cannizzaro. The precursors to the periodic system, like Dobereiner and Gmelin, are discussed. In chapter 3 the discovery of the periodic system by six independent scientists is examined in detail. Two chapters are devoted to the discoveries of Mendeleev, the leading discoverer, including his predictions of new elements and his accommodation of already existing elements. Chapters 6 and 7 consider the impact of physics including the discoveries of radioactivity and isotopy and successive theories of the electron including Bohr's quantum theoretical approach. Chapter 8 discusses the response to the new physical theories by chemists such as Lewis and Bury who were able to draw on detailed chemical knowledge to correct some of the early electronic configurations published by Bohr and others. Chapter 9 provides a critical analysis of the extent to which modern quantum mechanics is, or is not, able to explain the periodic system from first principles. Finally, chapter 10 considers the way that the elements evolved following the Big Bang and in the interior of stars. The book closes with an examination of further chemical aspects including lesser known trends within the periodic system such as the knight's move relationship and secondary periodicity, as well at attempts to explain such trends.

Customer Reviews:

A book that honors "one of the most powerful icons in science".......2007-04-12

XXXXX

"In spite of the central...role of the periodic table [of the elements], very few authors have felt drawn to write books on its evolution. There is no book that deals adequately with the historical, and especially the conceptual, aspects of the periodic system [that holds that there is a fundamental relationship among the elements] or its significance in chemistry and science generally. It is with the aim of injecting a more philosophical treatment to understanding the periodic system that [this book] has been undertaken...this book is not intended as a work of historical scholarship...the reader is [taken] on an interdisciplinary tour of the many areas of science that are connected with the periodic system, including physics, mathematics, computational methods, history and philosophy of science, and of course, chemistry."

The above is found in the introduction to this fascinating, extremely well researched book by Dr. Eric Scerri, a professor of chemistry and history & philosophy of science at UCLA. This book is fittingly dedicated to the 100TH anniversary of the death of Dimitri Mendeleev (1834 to 1907).

The periodic table of the elements--what is it? Simply, it is basically a two-dimensional representation of a periodic system (that is explained above). The aim of this book is to bring the story of the periodic table "up to date."

This book from my own personal perspective can roughly be divided into five parts:

(I) An overview of the periodic system. (1 chapter)
(II) The development of the periodic table. (4 chapters)
(III) The nucleus and the periodic table: radioactivity, atomic number (the number of protons contained in the nucleus of the atom of an element), and isotopy (isotopes are any of two or more forms of an element having the same number of protons but differing in the number of neutrons). (1 chapter)
(IV) Electronic explanations for the elements of the periodic table: physics versus chemistry. (3 chapters)
(V) Astrophysics, element formation, other chemical trends that defy neat explanations, and three fundamental questions regarding the periodic table. (1 chapter)

One of the key features of this book, as mentioned above, is that it is well researched. However, Scerri goes one step beyond mere information gathering. He actually questions the information he has found. Here are just three examples:

(1) "The notion that the periodic table was deduced from quantum theory by [physicist Niels] Bohr [as the historical record implies] is something of an exaggeration."
(2) "This, I submit, suggests remarkable foresight and intuition on the part of [chemical writer] Gmelin, as does the way in which he uses his system to ground the presentation of the chemistry of these elements. Yet Gmelin's contribution to the classification of the elements has not been sufficiently appreciated of chemistry, or even historians of the periodic system."
(3) Clearly [chemist Dimitri] Mendeleev was spectacularly successful in [his] predictions [of new elements] but perhaps not quite to the extent that is implied by the more selective tables of comparison that regularly appear in chemistry textbooks and even histories of chemistry."

Another feature of this book is the inclusion of the actual writings of key people involved in the development of the periodic table. I found all of these interesting.

Yet another feature is that it is jam-packed with charts, tables, diagrams, etc. so readers can see for themselves what is going on. Some of these tables, etc. are actual copies from historical documents. As well, there are black and white portraits of some of those who contributed to some aspect of the formation and understanding of the periodic table.

The majority of the chapters end with a conclusion that consolidates all the information in a particular chapter. I found these most helpful.

Finally, I feel that this book can be read by all who are interested in the periodic table. However, the author assumes some science background. Many terms are defined in the book's main narrative but many are not. Thus, it would have been helpful if an appendix explaining key terms was also included. As well, a glossary would have been most helpful. Of course, any difficulties can be resolved by referring to a good, standard dictionary or even a basic science dictionary (especially for part IV above).

In conclusion, there are elements of the periodic table that are named after admired others. Examples include Einsteinium and Mendelevium. Eric Scerri has written a comprehensive book that honors the periodic table. Perhaps when a new element is discovered it should be named "Scerrium."

(first published 2006; acknowledgements; introduction; 10 chapters; main narrative 285 pages; notes; index)

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Beautiful Patterns.......2007-01-05

Humans are exquisitely good at finding patterns. Sometimes those patterns turn out to be illusory, such as the constellations. Sometimes they turn out to be very real, such as the patterns illustrated by the periodic table of the elements. Eric Scerri, in his book The Periodic Table, has done an excellent job of presenting a "warts and all" history of the periodic table. Instead of presenting the "heroes only" version of the history of the periodic table [speaking of illusory patterns] found in most high school and college textbooks, he gives us a full historical view with all the players, big and small, and shows how even ideas that turned out to be wrong had a positive effect on getting us to the periodic table we use today. Although scientists may someday show that the periodic table ultimately reduces to quantum mechanics, Professor Scerri shows us why we can't say that with the level of certainty with which it is often presented in chemistry classes [the next time I find chemistry among my preps at the high school where I teach, I will be much better prepared to deal with the periodic table]. The interested lay reader should find the book quite accessible, but a knowledge of high school chemistry, especially in the later chapters where electron configurations are presented [idea for the paperback - include an appendix that covers some chemistry basics like electron configurations], will help. Knowledge of the terminology used in the study of philosophy will also help the reader. This book should be of interest to folks with an interest in the history and philosophy of science, even if they don't have a specific interest in chemistry and the periodic table, especially fans of Thomas Kuhn's The Structure of Scientific Revolutions. I strongly suggest that The Periodic Table become required reading for all high school chemistry teachers! John Emsley is still my favorite writer on chemical topics, but Eric Scerri moves to a place not far behind.

An instant classic.......2007-01-03

The Periodic Table is one of the most iconic symbols in our culture. Every person interested in the physical world in which we live will want to read this book. It is also a masterful history of the people involved in the establishment of the periodic law of chemistry. The gradual growth in awareness of the regularities of the elements is the main theme of this work. It is already a classic in its first year in print!

A brilliant achievement.......2006-12-28

Scerri's work is a rich and fascinating account of the history, development and current significance of the Periodic Table: if you have any interest in chemistry you should read it. In his book he describes how the Period System was discovered (giving due credit to Mendeleev, but also to many others who deserve their place in the history of discovery),showing how it was received by other chemists. The most interesting part for me is in the brilliant later chapters, where the role of the Periodic System in influencing Bohr's ideas on the atom, and the nature of the relationship between quantum theory and empirical evidence is presented as clearly as you will find anywhere. Chemistry emerges not (as Dirac once claimed) entirely reduced to physics, but as a still-developing science in which quantum mechanics plays an important but not yet wholly reductive role.

Molecular Spectra and Molecular Structure: Infrared and Raman of Polyatomic Molecules

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Molecular Spectra and Molecular Structure: Infrared and Raman of Polyatomic Molecules
Gerhard Herzberg
Manufacturer: Krieger Pub Co
ProductGroup: Book
Binding: Hardcover

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ASIN: 0894642693

Book Description

This present volume represents the continuation of a series on Molecular Spectra and Molecular Structure. Illustrations have been included to make the reader visualize clearly the significance and meaning of results of the theory. A large number of tables have also been included in which theoretical results are summarized, or observed data collected, for the benefit of those carrying out research work in the field of infrared and Raman spectra or related fields.

Average customer rating:

Heavy on the Math . . .
Good for the Undergrad Students.
Most accessible of the useful physics texts
A must for every grad student
Group Theory and Quantum Mechanics

Group Theory and Quantum Mechanics
Michael Tinkham
Manufacturer: Dover Publications
ProductGroup: Book
Binding: Paperback

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ASIN: 0486432475

Book Description

This graduate-level text develops aspects of group theory most relevant to physics and chemistry and illustrates their applications to quantum mechanics: abstract group theory, theory of group representations, physical applications of group theory, full rotation group and angular momentum, quantum mechanics of atoms, molecular quantum mechanics, and solid-state theory. 1964 edition.

Customer Reviews:

Heavy on the Math . . ........2007-09-10

This book is an excellent reference for group theory. It gives you the detailed math behind group theory (which is great for me). It also gives you a brief introduction so you can work with molecular group theory. This was the recommended text in my chemical group theory class. It serves as a good mathematical reference. Also, see Cotton's group theory book, and Carters group theory book.

Good for the Undergrad Students........2007-08-27

This book has the advantage of applying group theory directly to solvable physical problems. In most areas of applied physics it is
very important to know the basics concepts of group theory, but
there is no need to have a deep knowledge as well as to know how to
proof all the main theorems. As an introductory course for undergrad
students this book is well recommended.

Most accessible of the useful physics texts.......2006-08-11

My background is that of theoretically inclined inorganic chemist and this review is intended for those with interests in inorganic and physical chemistry or solid-state chemistry/physics.

Tinkham's text is the first textbook one should go to for a reasonably rigorous introduction to the theory and use of group representations in physics and theoretical chemistry. Modern theoretical chemists should become familiar with all of this book, with the possible exception of the some of the material in Chapter 5 that will be applicable only to physicists (and not a lot of that, actually). The pervasiveness of band theory, even in general inorganic chemistry journals now, should convince chemists who teach this subject to include a lot of Chapter 8 (Solid-State Theory) and chemical theorists will even have to go beyond the symmorphic groups treated here.

The purely mathematical aspects of the subject are treated briefly, but much more completely, than "chemical group theory books" like Cotton's, for example. Naturally, this comes at a price of more mathematical abstractness, but that is unavoidable. These sections, like the rest of the book, are very well written.

Chapter 7, on applications to molecular quantum mechanics, is now quite dated. It was quite incomplete even when written, since it did not include any discussion of ligand-field theory. The effects of antisymmetric wavefunctions for electrons are touched on briefly in Chapter 5 (atoms), but are not adequately accounted for in discussion of molecules. (Incidentally, the failure to use Mulliken notation in molecular QM is an unfortunate annoyance.)

These objections aside, this book is an excellent buy for the price of a Dover edition. Indeed, if I'd included price in my rating, it would be 5 stars - easily!

A must for every grad student.......2005-12-27

I began reading this book having just finished a course on Abstract Algebra through my school's math department, and the semester before I took a graduate course on the exact subject.

After taking the math course, I was presented with group theory as if it were some muddled mix of facts, and the course came across as a poorly taught class on number theory. After reading just the first chapter of Tinkham's book, I developed a new, deeper understanding of group theory as a whole. For example, the way that Tinkham presents normal subgroups makes vastly more intuitive sense than the presentation I received in my math course.

The first two chapters alone are probably worth 80% of the book's sale price. The rest is made up entirely of the fact that the book does not piddle around with trivial examples, but genuinely frames quantum mechanics in the language of group theory, and the most important part is that Tinkham does it well.

This book, along with his book on superconductivity, are must-haves for any serious condensed matter person, and this book should be at least read (if not owned) by any physics grad student.

Group Theory and Quantum Mechanics.......2005-07-19

Both the content of the book and service of amazon are wonderful

Average customer rating:

I love you THIS much!
Excellent textbook for Quantum Chemistry
I like it
Amazing book!
The best introductory book for learning Quantum Chemistry

Quantum Chemistry (5th Edition)
Ira N. Levine
Manufacturer: Prentice Hall
ProductGroup: Book
Binding: Paperback

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ASIN: 0136855121

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.

Customer Reviews:

I love you THIS much!.......2005-09-26
I'm a grad physics student, rather than a chemist. But I'm using this book in a Physical Chemistry class because my school doesn't have an Atomic & Molecular class. Now, maybe I'm saying this because I already have a background in Quantum Mechanics ... but this book is awesome. My instructor assigns all or nearly all of the end-of-chapter problems each week. And I'm able to flip to the back of the book and check to see if my numbers agree. It may be be Quantum Chemistry, rather than Quantum Mechanics, but aside from the chemical modeling which isn't as applicable for physicists, Levine just does a better job of conveying quantum mechnics than most Q.M. books I've seen. He's able to keep things simple, and not clog up the logic process with mathematical proofs. If you need a math proof, he gives you the reference. But the important stuff is proven, and he gives a lot of examples to help the process. As a bonus to physicists, a lot of the problems require some number crunching. And in this age of physical symbolism, it is easy to get rusty at dealing with real numbers, real units and real dimensions. I'll even go so far as to say that before I read Levine, I never really had a complete grasp of Q.M.. And I've used decent books before this; Merzbacher, Saxon, a little Cohen-Tenoudji, Ter Har, Lim and Griffiths. This one is my favorite, and imagine, it's not even officially a physics book!
Excellent textbook for Quantum Chemistry.......2003-09-06
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.......2002-12-20
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!.......2002-03-19
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.......2001-05-12
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.

Average customer rating:

A wonderful little book!

Finally understood refraction

I want to love this book but can't

Very readable.

Quantum mechanics for the intelligent layman

QED: The Strange Theory of Light and Matter (Princeton Science Library)
Richard P. Feynman
Manufacturer: Princeton University Press
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ASIN: 0691125759

Book Description

Celebrated for his brilliantly quirky insights into the physical world, Nobel laureate Richard Feynman also possessed an extraordinary talent for explaining difficult concepts to the general public. Here Feynman provides a classic and definitive introduction to QED (namely quantum electrodynamics), that part of quantum field theory describing the interactions of light with charged particles. Using everyday language, spatial concepts, visualizations, and his renowned "Feynman diagrams" instead of advanced mathematics, Feynman clearly and humorously communicates both the substance and spirit of QED to the layperson. A. Zee's new introduction places both Feynman's book and his seminal contribution to QED in historical context and further highlights Feynman's uniquely appealing and illuminating style.

Customer Reviews:

A wonderful little book!.......2007-07-15
In his Introduction to this wonderful "extra-difficult popular book ", A.Zee divides its prospective readers in three groups:1)-students who might be inspired by this book to go on and master QED.2)- intelligent laypersons curious about QED and 3)-professional physicists. Personally, I fall between groups 1 and 2: I have been a "student" of physics all my life, but at the same time I'm just a "layperson", since physics is not my specialty.
Having said that, I consider that Feynman has succeeded in conveying the basic ideas of QED to the "intelligent layperson", but I also believe that very few laypersons will finish reading this book. On the other hand, whoever finishes reading it properly, "mulling over each sentence carefully", would end up having a correct understanding of QED. And Feynman accomplishes this feat without once mentioning fermions, bosons or leptons! He makes an exception for baryons, though!
Of course, things would become much easier when the reader has some mathematical background, like knowing what vectors and complex numbers are. Then he or she will know how to add two "Feynman arrows" without there being any need to tell him or her to "attach the head of one arrow to the tail of another". The reader would also know that "shrinking and turning" is nothing but the multiplication of two complex numbers!
There is also one thing I would like to point out about Feynman's remark at page 15 regarding the behavior of light as particles("I'm telling you the way it does behave-like particles.")Those little Feynman arrows, turning and stopping between two points of a path, why do they turn at different speeds for different colors? Neither Feynman nor QED tells us anything about it, and it remains a mystery. For me, those arrows are nothing but the old "Fresnel vectors", that are used to represent a sinusoidal function of time in old classical physics. The length of the vector is the amplitude of the sinewave, and its projection on the reference axis gives the value of that function at any given time. As for the angular speed of rotation, it is the frequency of that sinewave times 2 pi. I cannot understand light or electromagnetic fields without this concept of frequency, and consequently of wavelength: this is why the stopwatch turns faster for blue than for red light. Besides, waves are used in Quantum Field Theories to represent all elementary particles, so why not photons as well? And what happened to the old W=h.c/lambda, if there be no more lambda?And how does one explain the Doppler effect and the cosmological redshift without a wave? Feynman probably would have been able to find an explanation of these effects without resorting to the wave concept, but there are very few Feynmans around...So dear reader, if you know how to explain the Doppler shift without using waves, please let me know!
All in all, this book is a must read for all those who are curious about modern physics, but who cannot understand the "real thing", with all its details and equations. This is why I strongly recommend it.
Finally understood refraction.......2007-04-17
When I was a senior in high school, I asked my physics teacher why light bent when it entered a lens. He responded with an analogy about soldiers marching on a field and entering a marsh. The first soldiers entering the marsh would slow down and "bend" the column until all the soldiers were in the marsh.

The analogy made no sense to me because we were talking about light, not soldiers. He responded that light travels in waves and if I viewed the soldiers as a wave front, I could understand his analogy. I left the conversation feeling very stupid for not "getting it." and thinking the analogy had so many holes in it. For example, it didn't explain why the lens was a marsh as far as light goes.

It wasn't until I read QED that I realized I didn't get the soldier analogy because my teacher was wrong - light doesn't travel in waves, it travels in discrete little packets called photons.

In QED, Feynman opens his first chapter by saying a couple of things. First he tells you that the theory he's going to describe to you has been experimentally verified out to 10 decimal places so it's probably right. He then gives you a quick review of what matter is and then tells you "light comes in particles. Not waves, particles." No wavicles, just little bits of light. He tells you that photons go from place to place, an electron goes from place to place and the electron will sometimes either absorb or emit a photon. From that basis, the rest of the book shows how that model explains why light bends when it enters a lens, why mirrors reflect, why oil slicks show different colors, why peacock feathers iridesce along a with host of other phenomena. He also explains why light has wave-like properties despite the fact that light comes in packets.

The first reviewer is right - there are questions left unanswered but that doesn't diminish the book. The framework Feynman develops in four chapters gives you a clear mental image of what's going on. Bohr and Pauli disliked Feynman's approach because it violated the Copenhagen approach of eschewing all models. In their view, only mathematics would suffice to understand quantum mechanics. I for one, am very glad Feynman ignored them, developed his approach and eventually gave the 4 lectures that are the basis of the book.

If you think light travels in waves, read this book. It's truly wonderful. If you're as dumb as I am, you'll have to read it multiple times but it's definitely worth it.
I want to love this book but can't.......2007-04-11
Yes the book explains QED without any math, but it doesn't really explain it very well. I admire what Feynman is trying to do, but I don't believe he succeeds. I'll give one example. The book is built around using vector addition and multiplication to show how to come up with probability sums and products. So far so good. The problem is that we never get an explanation for why the vectors point the way the do, are rotated just so, etc. Without that it's simply voodoo, and nothing has been explained.
It's not that you'd need math for any of that. You wouldn't. It's not the lack of math that leaves the reader in the dark, it's simply Feynman's not having the time to elaborate given the lecture format. Twenty pages on how waves work and reinforce and cancel etc. would at least provide the frame work for understanding more or less what is going on in the vector spinning.
Feynman certainly made an amazing use of the time he had in the brief lecture series the book is drawn from, but unfortuantely a brief lecture series aimed at the scientifically illiterate is just not a reasonable forum for presenting even a very basic understanding of QED.
Very readable........2007-03-19
Unlike Feynman's lecture series, you'll be able understand every word of the first two of the books three sections. Is a great feeling to understand Feynman.
Quantum mechanics for the intelligent layman.......2007-02-17
This book has to be the ultimate proof that if you really understand something, you can explain it to anyone willing to listen carefully.

Most people would agree that Quantum Mechanics is the most complex idea ever. Here, the idea is presented accurately, but without any scientific or mathematical jargon. It's just amazing that this is possible.
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