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

The first broad account offering a non-mathematical, unified treatment of solid state chemistry. Describes synthetic methods, X-ray diffraction, principles of inorganic crystal structures, crystal chemistry and bonding in solids; phase diagrams of 1, 2 and 3 component systems; the electrical, magnetic, and optical properties of solids; three groups of industrially important inorganic solids--glass, cement, and refractories; and certain aspects of organic solid state chemistry, including the ``organic metal'' of new materials.

Customer Reviews:

An uneven treatment; a book from a ceramist's perspective.......2005-05-17

Where this book is good, it is very good. Where it is isn't, it is badly dated and incomplete. I suspect that the book's shortcomings stem from West's sole authorship - he just doesn't know much about a broad swath of this subject. A subject as broad and interdisciplinary as solid state chemistry demands a text written by at least two (but not more than three) knowledgeable solid state chemists. West needs a coauthor!

The good parts. Synthesis of bulk solids, particularly as applied to oxides. Interpretation of Phase diagrams & Ionic Conductivity and Solid Electrolytes - best treatments in any introductory text. Glasses & Cement and Concrete - not complete of course, but good introductions.

The adequate parts: Most of the material related to characterization of solids. Diffraction, spectroscopy, crystal symmetry, crystal defects, ionic bonding. Not terribly exciting treatment or imaginative in coverage, but adequate.

Completely dated - obsolete even when the book was first published: all subjects requiring a quantum-mechanical treatement, e.g., magnetism, electrical conductivity, all treatment of bonding other than ionic or hydrogen-bonded systems.

A common but expensive text about solid chemistry.......2001-12-07

I couldn't consider the best book I've read about solid chemistry but it is complete for graduate students. The crystaline structure is well treated but it's poor in the quantum approach. My teacher loves this book as she was a student of Anthony West but I don't like it. I bought it 'cause I was robbed and I lost this book and now I need to get it back to the library.

Prepare to mortgage your house for this book.......2001-06-03

This is an EXCELLENT, comprehensive book on solid state chemistry. However, the expense of this book is a joke. Save yourself the money, and check it out at a university library.

It was the best of books, it was the worst of books.......1998-07-25

Attending the University of Aberdeen from 1990-94, it was my pleasure to receive solid state chemistry lectures from the author, Professor West.

He was always very clear, concise, and helpful, if terribly busy.

The book was the magnum opus of the Inorganic Department, and was widely used throughout. It covers a very large range of topics, and is rather impressive for its clarity and breadth of information.

Despite the rather phenomenal expense, the book is well worth the price FOR THOSE involved in theoretical and practical applications of solid state chemistry. In my current work as a solid state research chemist, the book has proven an invaluable resource and without peer.

Book Description

Ira N. Levine's fifth edition of Physical Chemistry provides students with an in-depth fundamental treatment of physical chemistry. At the same time, the treatment is made easy to follow by giving full step-by-step derivations, clear explanations and by avoiding advanced mathematics unfamiliar to students. Necessary math and physics have thorough review sections. Worked examples are followed by a practice exercise.

Customer Reviews:

Very good introduction to physical chemistry.......2007-07-23

A previous reviewer stated that physical chemistry is complicated. As a retired NASA researcher with 44 years experience specializing in physical chemistry I readily acknowledge that physical chemistry can be a very challenging subject. But, personally, I have also found it to be immensely fascinating and rewarding. There are several good textbooks on physical chemistry but, in my opinion, none is better than this one. Levine has done a very good job of presenting the material contained in an understandable fashion without compromising scientific rigor.

An earlier reviewer stated that this book is full of inaccuracies, but I strongly disagree with this statement. One example of an alleged inaccuracy which this reviewer cited is Levine`s statement that, at the velocity of light, photons have mass. This is a true statement; photons do indeed have both mass and momentum and thus can cause pressure on objects they strike. I beg you not to be biased against this outstanding book by this flawed review.

The topic of physical chemistry -- in which chemistry, physics, and mathematics overlap and interact -- clearly does not appeal to everyone. Even many chemists shun the rigors of physical chemistry as much as possible. But for those studying this important subject, I highly recommend this book. And some of you may even come to love this fascinating subject as I do.

for those who don't like Levine.......2007-04-25

If you want the most student friendly book get Physical Chemistry , 4/e by Laidler, Meiser, Sanctuary, ISBN 061815292X.

Description on their website says "With its clear explanations and practical pedagogy, Physical Chemistry is less intimidating to students than other texts, without sacrificing the mathematical rigor and comprehensiveness necessary for a junior-level physical chemistry course. The text's long-standing reputation for accessible writing provides clear instruction and superior problem-solving support for students." I second that.

see my review here Physical Chemistry I mention the alternatives as well.

Terrible semester.......2007-03-31

Physical Chemistry is complicated, there is no way of getting around that. This book will go through the derivations, but never include units. That is a huge problem.

Terrible. Absolutely terrible........2006-09-24

I don't know why so many other people think this book is good. I feel just the opposite.

First, it is filled with factual inaccuracies. Let me quote just one howler, from page 604. "At speed c, the photon has a nonzero mass m." Yes, you heard right, Dr. Levine thinks photons have mass. He then goes on to give an incorrect statement and explanation of the De Broglie wavelength. (Among other things, he uses "mv" instead of momentum, which is of course true only in the case of Newtonian mechanics with massive particles. Sigh.) These gaffes are rarely typos, they are generally the sort of thing which someone with a fundamental understanding of the underlying physics cringes at.

Second, Levine is incapable of going a paragraph without interrupting himself. Given the choice of stating something simply, or filling a paragraph with fifteen references (placed in the text, not in footnotes) and a few asides, he always goes for the latter. References are a fine thing, but placing them inside the text and doing it constantly interrupts the reader's thinking.

Taking an example a few pages earlier in the text, it is not sufficient for Levine to start to explain the photoelectric effect, he has to add in a few lines about practical applications of photocells. All fine and well, but it distracts from the flow of the logic, and frankly the applications of photocells aren't germane to what is being taught here, which is that light is quantized. Levine can never resist the temptation to add a little aside -- there are even spots in the book where he interrupts his own interruptions.

Third, Levine is also incapable of writing without making what he discusses somehow seem meaningless and uninteresting. Take thermodynamics. In the hands of a bad author, thermodynamics can seem like a swirling vortex of formula manipulations, but if you read, say, Enrico Fermi's pamphlet from the 1930s, you instead feel as though you're seeing the power of a few ideas applied rigorously to an interesting domain -- you feel the relevance of the topic to the world and you feel the sparkle of the author's intellect. Levine takes this same topic and makes it feel like an endless parade of noise.

Indeed, Levine can take all sorts topics that are full of inherent interest and relevance and make them seem utterly abstract, boring and lifeless. In order to cover up for this, he throws in lots of asides (see above) and the occassional several paragraph digression about the life of some famous scientist. Sadly, you don't make a topic more "interesting for the kids" by throwing in random asides and distractions -- you do it by knowing how to teach. A good teacher can make anything interesting -- a bad one can't make up for it by doing a few juggling tricks.

Between Levine's self-interruptions, asides and dry presentation, somehow the length of the text always seems an order of magnitude longer than necessary to explain any given subject. I often mentally scream "get to the point already!" as I read.

There is also the question of order of presentation. Honestly, I think that starting a discussion of thermodynamics without first at least glossing to the kinetic theory of gases is a mistake. Abstraction has to be tempered with good mental models of what is going on and why it is going on or the student becomes lost. Even a couple of pages showing that the Ideal Gas Law is an emergent result of a simple classical mechanical model would ground the student better to the material. This sort of thing happens over and over in Levine, with discussion being often both too rigorous and unfounded in basic principles at the same time -- quite a trick to pull off.

Levine's text is, of course, in its fifth edition. Presumably, had the earlier revision been left alone, sales might have flagged as used copies from bored students uninterested in holding on to them filled the market. The publishers have therefore done the usual thing and produced trivial updates every few years to assure that used copies become worthless. Does this new fifth edition come with snazzy new diagrams and all the other stigmata of the modern textbook industry? No. The diagrams in the text -- a text you pay a kings ransom for -- were clearly done in MacDraw and MacPaint in the mid-1980s. I am not that upset about this -- I just find it another irritation. Truthfully, I don't need snazzy illustrations -- my favorite physics and chemistry texts are often decades old -- but if you're going to pretend that you're doing a new edition for some reason other than to keep your sales numbers up, at least have the decency to spend a small amount of money on production to keep up appearances. Milking the students is an embarrassment, especially at the inflated price this book commands.

Oh, and did I mention that the book is insanely heavy? That's not a small thing if you have to haul it around a campus constantly.

As I said, I don't know why other reviewers like this book so much. I'm a confirmed science geek who loves reading science texts for their own sake and I'm having a great deal of difficulty reminding myself that this text (which is being used for a class I'm taking) is not reason enough to find the entire subject of physical chemistry an unbearably boring waste of time -- the topic is in fact interesting, it is this book which is the problem.

To survive the course I'm taking with my mind intact, I've used a succession of small texts by people like Fermi and Pauli. The contrast between people who understand a topic well enough to explain it clearly and simply and the people like Levine that churn out heavy uninteresting textbooks is striking. If you're a professor considering the use of this book, please, please, please don't do it. Find something else. there has to be a decent book on this topic out there somewhere.

As a final comment, let me say this is not the worst text I've ever used. That would be H.J. Pain's "The Physics of Vibrations and Waves". To damn Dr. Levine with faint praise, this book doesn't even come close to being as bad as that other text.

Great Book.......2006-04-22

I took both semesters of P.Chem, failing the first because I took way too many upper level Chem Classes & working as well as a weak background in Calc 3. After studying Calc III by myself over the summer and retaking the class, I am able to absorb so much more and I'm ripping a new one in this class. It is truly an amazing book. Having a solid math background helps one to 'connect the dots' so-to-speak whenever Dr. Levine makes these 'shortcuts'. Tons of worked examples, difficult yet definitely possible homework problems and an acutual intelligent sense of humor are woven into the this book making an extremely complex and difficult subject..... engaging, lol. I spend close to 40hrs. per test and I'm thankful I'm putting myeself through this. Great book, just make sure you have a solid understanding of partial diff eqns. and complex algebra before you take it. Not meant for the weak of mind.

Essentials of Computational Chemistry: Theories and Models

Average customer rating:

Great primer for students and faculty alike
Excellent treatise

Essentials of Computational Chemistry: Theories and Models
Christopher J. Cramer
Manufacturer: Wiley
ProductGroup: Book
Binding: Paperback

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ASIN: 0470091827

Book Description

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

Customer Reviews:

Great primer for students and faculty alike.......2007-08-02

This summer one undergraduate and I made my first research foray into computation chemistry. This book from one of the best names in the field was a useful and approachable primer to the uninitiated, but also had sufficient depth to be meaningful to a broad audience. The student took this book as a springboard and reference into the primary literature and her own research, and was able to work independently - I finally have the book back for a long enough amount of time to get to read a lot of it for myself! We're writing our first computational communication this fall, so obviously we learned what we're doing!

Excellent treatise.......2005-05-19

This book is a follow-up to a previous release and is a great textbook for learning how to simulate atoms, molecules, and fluid mixtures using a variety of techniques. Its positive attributes includes the following:

1. The author makes it a point to explain the various phrases, acronyms, and terms common in the field, but which may confuse the novice or outsider. For example, the first chapter explains the concept of a potential energy surface, how it can be obtained, and the information that can be gleaned from it. These are simple concepts to those experienced in atomistic modeling but can be mysterious to newcomers.

2. The mathematics in the text are simple enough to be understood without the reader having to resort to proving things herself, but they are complete enough to understand how physical concepts are represented and solved. The equations are also set apart from the text such that they are easy to read.

3. There are a lot of diagrammatic figures that explain what is going on; i.e. how atoms interact via certain empirical potentials. One can also tell that the figures were made specifically to teach a concept, and are not reproductions from a publication.

4. The text is appropriate for first-year graduate students in physics, engineering, and chemistry, and the book provides chapters dedicated to quantum mechanics and thermodynamics, the two topics science and engineering students have the most difficulty in.

5. The case study at the end of each chapter are well laid out and do a good job of illustrating the concepts taught in that chapter.

6. There are a lot of flowcharts that show the process by which a calculation is carried out. See for example the appendix on determining the point symmetry of a molecule. Flowcharts are essentiall to understanding how software works, and is probably the biggest difference between computer science and all the other sciences. Computers execute instructions and programmers use flowcharts to decide how a software is put together. Classes and books in the other science and engineering majors are often devoid of flowcharts, so the use of flowcharts in this book helps the reader get into the computational mindset.

7. The list of references at the end of each chapter are primarily to review articles and articles that introduced important concepts. This provides the reader alternate sources of learning. Gone are long lists of case studies and published data.

With so many pluses, why did I give four stars instead of five? Four reasons mainly.

A. There is almost no coverage of the algorithms used to do the mathematics, whether it be diagonalizing the Hamiltonian, or an Ewald summation of interatomic potentials. For example, I do not recall reading anything about the conjugate gradient method anywhere in the book, yet this algorithm is coded into most major codes in computational chemistry like VASP, SIESTA, ADF, etc...

B. There was minimal discussion of techniques for modeling solids. There were chapters dedicated to modeling gases and liquids, but nothing on solids. This is especially disheartening considering that most of the funded chemistry (theoretical and experimental) going on today involves solids; whether it is designing new polymers, hydrogen storage for fuel cells, or examining surface catalysis.

C. A lot of the research going on today in chemistry is in the properties of surfaces and interfaces. Yet there is little mention on modeling of the concepts related to this; such as surface and interface energy, interface lattice msimatch, symmetry of slabs, etc...

D. The book emphasizes the theories behind doing a calculation, such as the Hartree-Fock method, DFT, force fields, etc.. But there is only some mention on the data that can be generated by a simulation software, and how to use them. The examples I can recall are bond orders, population analysis, radial distribution function, and charge density. Other items that should have been included include density of states (vibrational and electronic), electron localization function, and optical properties such as refractive index or dielectric constant.

Overall, it is still a great book and one worth reading.

Chemical, Biochemical, and Engineering Thermodynamics

Average customer rating:

EXCELLENT BOOK FOR ChE's
One of the best Thermodynamic books ever!!!
Full of mistakes
An unbiased review on Sandler's textbook
This IS THE BOOK of ChE Thermodynamics

Chemical, Biochemical, and Engineering Thermodynamics
Stanley I. Sandler
Manufacturer: Wiley
ProductGroup: Book
Binding: Hardcover

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Accessories:

ASIN: 0471661740

Book Description

A modern, accessible, and applied approach to chemical thermodynamics
Thermodynamics is central to the practice of chemical engineering, yet students sometimes feel that the discipline is too abstract while they are studying the subject.

By providing an applied and modern approach, Stanley Sandler's Chemical, Biochemical, and Engineering Thermodynamics, Fourth Edition helps students see the value and relevance of studying thermodynamics to all areas of chemical engineering, and gives them the depth of coverage they need to develop a solid understanding of the key principles in the field.

Key Features
* Highlights applications of thermodynamics to subjects that chemical engineering students will see in later courses.
* Realistic problems introduce students to the types of challenges they will encounter in industry and graduate research.
* The Fourth Edition has been reorganized into 15 chapters, providing shorter chapters that introduce students to the subject in more bite-sized pieces.
* Presents biochemical examples, particularly in Chapters 11 and 12, and in all of Chapter 15 entitled "Biochemical Applications of Thermodynamics."
* Coverage of environmental and safety applications of thermodynamics provides course material useful for ABET accreditation.
* Includes a brief introduction to the new field of product engineering in Chapter 12.
* Instructional objectives and nomenclature lists at the beginning of each chapter provide useful study tools.
* Students can solve problems using MATHCAD(r), MATLAB(r) and Visual Basic programs that accompany this textbook.
* An accompanying CD features a 120-day trial version of MATHCAD, as well as MATHCAD worksheets, an extensive properties database, and Windows-friendly Visual Basic and MATLAB programs for equation of state and UNIFAC calculations. (These worksheets and programs are also available online at the book website.)
* Also included on the CD are PDF files of important data figures that students can download and print for use in solving homework problems.
www.wiley.com/college/sandler

Customer Reviews:

EXCELLENT BOOK FOR ChE's.......2007-07-04

I cannot believe that some people have given this book a bad review because they think that this book goes to in depth, covering areas that any engineer would not need. This book is extremely important for chemical engineers, dealing with 1st and 2nd law, cycles, chemical equilibrium, and reactors, areas of extreme importance for chemical engineers.

What I like about this book is how the author starts from the big picture, and from there specific examples are derived. Let's put it this way, if you are a chemical engineer, this book will definetely help you understand one of the hardest classes in our curriculum; ChE thermodynamics.

I should also emphasize that the understanding of this class is also going to depend on who teaches it.

One of the best Thermodynamic books ever!!!.......2007-05-02

The book level is indeed a little bit high for an undergraduate student, in the other hand, it's very practical in representing how to perform REAL and USEFUL calculations. I have two degrees in chemical and Process Engineer, and if you are a person who must work very often with process programming and simulation, this book is essential. If you're looking for more common information, basic concepts and definitions (enthalpy, cycles, steam tables, etc...), maybe you should try other books first, like Smith and Van Ness', or Van Wylen's book. It's mostly a book for chemical and process engineers, I wouldn't recommend it for mechanical, electric or other engineering fields.

Full of mistakes.......2007-02-17

As already indicated, it has mistakes throughout, from the differential equation derivations to the data in the steam tables.

The book is not very redeeming, the author(s?) seem to have a very difficult way of conveying even the simplest point. The book goes much more in depth than any engineering student would need.

Don't even try to read through it either, this simply has proven itself to not be one of those kinds of books. To me, its a nice introduction to concepts, then you have to read the practice problems to actually understand whats going on.

An unbiased review on Sandler's textbook.......2006-11-15

For a consolidated science as thermodynamics is, a concise textbook is a must. I consider Sandler's one as a top quality study material carefully conceived to give the reader a serious chance of really understanding the power, beauty and applicability of thermodynamics. However, to study from this book is a long-haul task and may not be wholly appropriate to undertake it as a part of an undergraduate course in chemical engineering thermodynamics, not unless you specially like the subject.
On the other hand, for the graduate student set to perform research on the area, it is definitely a good starting point. Indeed, that is my current situation, having studied only the first starting chapters so far.
In any case you better borrow it from the library and have a look on the book beforehand, otherwise chances are it will stand on your shelf unread until the entropy attains a maximum.

This IS THE BOOK of ChE Thermodynamics.......2006-07-08

I like this book. Rationale:

1. The mathematical rigor, the absolute only way to communicate anything in the physical sciences, is very much present. If you don't know what total differentials are, as well as simultaneous equations, function notation, differential equations, and the like, don't balk at its presence in this book. It's necessary.

2. The examples (called "Illustrations" for some odd reason) are sufficient in number, and, after doing out the examples myself, key concepts I was missing sunk in, to the credit of Dr. Sandler.

3. Ample Figures and Diagrams well-described.

4. A very good system of equation numbering (it seems that equations simultaneous to each other, or algebraically equivalent are assigned alphabetical suffixes).

5. Plenty of room in the margins to write comments (Sandler encourages this, and I do too).

I could go on. I'll leave you with an algorithm to reading this book that I found helpful:

HOW TO READ THIS BOOK: Use a pencil and take notes on each and every word in this book. Then, go back and recopy the Illustrations into a notebook (or into your computer using any word processor, and MathType, a very nice FREE software package obtainable upon any Google search. I know. A tangent.)...This is working really well, since, as you take notes in the book, you get to skip over the Illustrations (and you get to feel like you're moving fast!), and when you're doing the Illustrations, you get to skip over the text (ditto). It also helps if, when Sandler references an equation in the text (example, "Eq. 6.4-25"), circle this equation reference and write its page number next to it (example, p. 217).

Best Wishes!

UPDATE: This book is not just a model thermodynamics textbook, it's a model for all textbooks.

Sol-Gel Science: The Physics and Chemistry of Sol-Gel Processing

Average customer rating:

A Compendium of Knowledge about Sol Gel Science

Sol-Gel Science: The Physics and Chemistry of Sol-Gel Processing
C. Jeffrey Brinker , and George W. Scherer
Manufacturer: Academic Press
ProductGroup: Book
Binding: Hardcover

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ASIN: 0121349705

Book Description

Sol-Gel Science presents the physical and chemical principles of the sol-gel process at a level suitable for graduate students and practitioners in the field. This book defines sol-gel rather broadly as the preparation of ceramic materials by preparation of a sol, gelation of the sol, and removal of the solvent. The sol may be produced from inorganic or organic precursors (e.g., nitrates or alkoxides) and may consist of dense oxide particles of polymeric clusters. Brinker expands the definition of ceramics to include organically modified materials, often called ORMOSILs or CERAMERs. The emphasis of the author' treatment is on the science, rather than the technology, of sol-gel processing. Although a chapter on applications is included, more detailed discussion is available in proceedings of conferences and in the recent collection of articles, Sol-Gel Technology for thin films, Fibers, Preforms, Electronics, and Specialty Shapes (Noyes, Park Ridge, N.J., 1988), edited by professor Lisa Klein.

Customer Reviews:

A Compendium of Knowledge about Sol Gel Science.......2000-10-11

Perhaps it's trite to say this, but Brinker and Scherer's _Sol Gel Science_ is *the* indispensible desktop reference for the sol-gel chemist. Though now over a decade old, the topics covered (only a smattering of which are mentioned in the editorial review above) are so fundamental that it remains one of the most often cited sol-gel references, both in texts and refereed journal articles. The layout of the book takes the reader through the entire sol-gel formation process, from reaction to casting to drying, curing and other post-modificiations, with a chapter devoted to each step - permitting this book either to be read cover-to-cover (for the interested newcomer or as a text for a course in sol-gel science) or to be referenced as necessary by the more familiar reader.

C. Jeffrey Brinker, now affiliated with Sandia National Laboratories as well as the University of New Mexico, remains the preeminent researcher and one of the most-often cited authors in his field, continuing research on self-assembled nanostructures, porosity-tailored materials, organic-inorganic hybrids, and related topics.

George W. Scherer, professor in the Civil and Environmental Engineering Department of Princeton University, also maintains a professional involvement in sol-derived gels, glasses, and ceramics, among other areas of interest, and is the author of several patents, as well as innumerable scientific papers, in these fields.

Book Description

Originally published in 1962, this was the first book to explore teh identification of organic compounds using spectroscopy. It provides a thorough introduction to the three areas of spectrometry most widely used in spectrometric identification: mass spectrometry, infrared spectrometry, and nuclear magnetic resonance spectrometry. A how-to, hands-on teaching manual with considerably expanded NMR coverage--NMR spectra can now be intrepreted in exquisite detail. This book:

Uses a problem-solving approach with extensive reference charts and tables.
Offers an extensive set of real-data problems offers a challenge to the practicing chemist

Customer Reviews:

Excellent excercises..........2006-03-12

It's an OK book if you are a novice in the Spectroscopy determination area, but a very nice book if it's going to be used as a reference book. It's very handy and explains the principles of the Spectroscopic and Spectrometric determinations in a very understandable way. Moreover, the excercises are challenging, making this book and excellent tool for those students interested in learning how to determine structures out of some spectra, although the spectra sometimes are so clean that they don't correspond with the one's that are taken by routine. The weak points of this book are the IR chapter and the lack of a UV chapter explaining various useful techniques for structural determination such as ORD and CD. The NMR section is just OK, but there are more details to be explained in the 2-D NMR NOESY, TOCSY and ROESY. I think the Mass Chapters are the best that any single book has offered to me so far to understand quite easily how powerful is the GCMS as a tool for the Structural Determination of Organic Compounds.

Reference vs. Teaching Material.......2005-03-05

This book has wonderful charts and tables for quick referencing, however it is sorely lacking in demonstrations and worked out examples for students new to the subject. The chapters are painfully slow and complex when explaining the theory behind the spectrometric methods and effects on classes of molecules. In short, don't use this book to learn the material unless you already know it. It is a comprehensive reference, but not an effective textbook to teach from.

Great material, regular text..........2001-07-17

The book is subdivided into only 3 of the 4 classical methods for spectrometric identification of compounds: IR, MS, and finally NMR (covering 1H, 13C and very little of 19F and 31P). UV is left out in this edition, so maybe getting a hold of the old edition's UV chapter (which is extremely well-written) might be desired. The MS and the IR chapters are also well-written and explained out. It is in the main technique (NMR) that the author fails to deliver the subject in a straightforward manner and lacks what I think is most important in this field: a large number of exercises and problems.

An Important book.......2000-05-10

This book provide a the basis of the fundamentals of Spectroscopy in many fields (IR, HNMR, CNMR, DEPT, COSY, HMBC, HMQC, TOCSY, MS, and much more) It has many real problems in an special chapter. And the most important, it has a lot of important tables and spectrums.

Good in NMR Spectra analysis information, but weak elsewhere.......1999-11-19

This book lacked information in my opinion. Silverstein started a good project but just didn't give enough information about IR interpretation, mass spec, C-13 NMR, etc. He focussed on 2-D NMR a great deal, and I believe that there are much better textbooks on this subject.

Understanding Molecular Simulation (Computational Science Series, Vol 1)

Average customer rating:

great book for MD basics
Old fashioned fortran, strong bias on Monte Carlo
Excellent text for beginners in simulation
Perfect for New Grad Students
A nice disappointment

Understanding Molecular Simulation (Computational Science Series, Vol 1)
Daan Frenkel , and B. Smit
Manufacturer: Academic Press
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ASIN: 0122673514

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.

Physical Chemistry: A Molecular Approach

Average customer rating:

A Third-Rate Book at Best
Physical Chemistry: A Molecular Approach
Setting the standard for other physical chemistry texts
Well Approached Text Book for PChem
another "microscopic" book on Physical Chemistry

Physical Chemistry: A Molecular Approach
Donald A. McQuarrie , and John D. Simon
Manufacturer: University Science Books
ProductGroup: Book
Binding: Hardcover

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ASIN: 0935702997

Book Description

As the first modern physical chemistry textbook to cover quantum mechanics before thermodynamics and kinetics, this book provides a contemporary approach to the study of physical chemistry. By beginning with quantum chemistry, students will learn the fundamental principles upon which all modern physical chemistry is built. The text includes a special set of "MathChapters" to review and summarize the mathematical tools required to master the material Thermodynamics is simultaneously taught from a bulk and microscopic viewpoint that enables the student to understand how bulk properties of materials are related to the properties of individual constituent molecules. This new text includes a variety of modern research topics in physical chemistry as well as hundreds of worked problems and examples.

Customer Reviews:

A Third-Rate Book at Best.......2007-10-07

This is one of the poorest textbooks I've ever owned. It is wordy yet it explains very little. And there is one really annoying aspect to this book:
The authors only ever introduce an equation once in the text. From thereon, they refer to that equation as "equation 17-1" or whatever number they designate it. So you're constantly having to turn back pages and entire chapters just to find out what stupid equation they are talking about. They also embed all the important tables within random chapters instead of being in an appendix, so good luck finding any constants or any other figures that would be put in a table. I hate this book with a passion. It has crappy black and white illustrations too. It looks like it was written in the 70's or something.

Physical Chemistry: A Molecular Approach.......2007-10-05

I received the correct book in excellent condition (matching the seller's description) in the timeframe I was told when I purchased it.

Setting the standard for other physical chemistry texts.......2007-07-28

To be succinct:
1) Thorough explanation of each subject.
2) Subjects broken down into manageable chapters.
3) Lots of worked problems.
4) Lots of problems at the end of each chapter.
5) Material presented in a logical, not necessarily historical, fashion.
6) Layout is generally superior to other texts (spacious, not cramped)
7) Get the solutions manual.

Bear in mind most schools teach thermodynamics and kinetics, followed by quantum chemistry. This methodology is merely a reflection of the order of discovery, and not because quantum chemistry necessarily builds on thermo or kinetics. This text teaches quantum first, followed by thermo and kinetics. It's more logical to teach quantum first, but you can jump right into traditional physical chemistry with this text.

Only recommendation:
The publisher should package the book with the solutions manual. I'm a big fan of solutions manuals and a student is somewhat hobbled without one.

Well Approached Text Book for PChem.......2007-06-23

At first, this book - judging from its thickness - scared me. I owned 3 different 3 P-Chem books prior to this. They were dry, hard to comprehend and worst, they had a lot of typos. So when I saw this text by McQuarrie, I thought that it'd be one of those books that i had to buy for class.
After reading the first chapter, I could tell that this text was worth buying. Not only that it gives me the essential mathematical skills to approach p-chem, but it also informs me the applications of p-chem in both chemistry and biology. Best of all, it has the least 'typos' in comparison to other text.

The only drawback about this book is the paper. It's very thin - and i understand why. If it were printed in a regular paper, this book would have been twice as thick.

This text is the standard text at UC Berkeley.

another "microscopic" book on Physical Chemistry.......2007-04-20

Just wanted to alert readers of these reviews that there is another Physical Chemistry book that follows the 'microscopic' approach of McQuarrie and Simon:

Principles of Physical Chemistry: Understanding Atoms, Molecules and Supramolecular Machines by Hans Kuhn, Horst-Dieter Försterling.

No end-of-chapter problems in this however. Link: Principles of Physical Chemistry: Understanding Atoms, Molecules and Supramolecular Machines

I've also reviewed Laidler et al. which some may find useful:
Physical Chemistry

Intermolecular and Surface Forces, Second Edition: With Applications to Colloidal and Biological Systems (Colloid Science)

Average customer rating:

Great Service
A great text with lots of information in a small package.
Good book.
Fantastic Book
Forces you know or not????

Intermolecular and Surface Forces, Second Edition: With Applications to Colloidal and Biological Systems (Colloid Science)
Jacob N. Israelachvili
Manufacturer: Academic Press
ProductGroup: Book
Binding: Hardcover

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ASIN: 0123751810

Book Description

This book describes the roles of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids, and solids, of more complex colloidal, polymeric, and biological systems. The book provides a thorough grounding in theories and concepts of intermolecular forces, allowing students and researchers to recognize which forces are important in any particular system and how to control these forces.

Key Features
* Surface-force measurements
* Solvation and structural forces
* Hydration and hydophobic forces
* Ion-correlation forces
* Thermal fluctuation (steric and undulation) forces
* Particle and surface interactions in polymer melts and polymer solutions
* Contains worked examples, discussion topics, and more than 100 problems

Customer Reviews:

Great Service.......2007-10-08

The book was brand new and the shipping was fast.
Thank you for an easy transaction.

A great text with lots of information in a small package........2007-09-29

This text is perfect for the reader who can read graphs and diagrams. A picture is worth a thousand words and so are graphs and diagrams. This text is chock full of graphs with all the information that you may need for an undergraduate or graduate course. I love this book. Its an excellent reference.

Good book........2007-09-03

Was used for "intermolecular forces" class... Advanced, and I think, it could be useful for people who work with AFM.

Fantastic Book.......2005-07-23

If you want to learn about the title subject, this is a great intro book. And it's probably the most enjoyable theory book you are likely to own, if you purchase it.

Forces you know or not????.......2004-02-13

The above "reviewer" needs to learn the English language! What the hell is that guy trying to tell us? I'm glad the book is useful to the outdoors.

I have not read too far into the book, but it seems to be fairly well written.

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