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Analytical chemical results touch everyones livescan we eat the food? do I have a disease? did the defendant leave his DNA at the crime scene? should I invest in that gold mine? When a chemist measures something how do we know that the result is appropriate? What is fit for purpose in the context of analytical chemistry?Many manufacturing and service companies have embraced traditional statistical approaches to quality assurance, and these have been adopted byanalytical chemistry laboratories. However the right chemical answer is never known, so there is not a direct parallel with the manufacture of ball bearings which can be measured and assessed.The customer of the analytical services relies on the quality assurance and quality control procedures adopted by the laboratory.It is the totality of the QA effort, perhaps first brought together in this text, that gives the customer confidence in the result. QA in the Analytical Chemistry Laboratory takes the reader through all aspects of QA, from the statistical basics and quality control tools to becoming accredited to international standards. The latest understanding of concepts such as measurement uncertainty and metrological traceability are explained for a working chemist or her client. How to design experiments to optimize an analytical process is included, together with the necessary statistics to analyze the results.All numerical manipulation and examples are given as Microsoft Excel spreadsheets that can be implemented on any personal computer. Different kinds of interlaboratory studies are explained, and how a laboratory is judged in proficiency testing schemes is described. Accreditation to ISO 17025 or OECD GLP is nearly obligatory for laboratories of any pretension to quality. Here the reader will find an introduction to the requirements and philosophy of accreditation. Whether completing a degree course in chemistry or working in a busy analytical laboratory, this book is a single source for an introduction into quality assurance. ... Read more

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Quality Assurance in the Analytical Chemistry Laboratory
Very good book in the field of application.It is very importance in my country(Chile, Sud America)for the use in the Accreditation of the Laboratories in Analytical Chemistry ... Read more

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This handbook attempts to select or define robust procedures that ensure the best use of resources and enable laboratories to generate consistent, reliable data. Written in concise, easy-to-read language and illustrated with worked examples, it is a guide to current best practice and establishes a control framework for the development and validation of laboratory-based analytical methods. Topics include samples and sampling, method selection, equipment calibration and qualification, method development and validation, evaluation of data and statistical approaches for method performance and comparison. ... Read more

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Introduction to Computational Chemistry Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to the sophisticated. Although comprehensive in its coverage, this textbook focuses on calculating molecular structures and (relative) energies and less on molecular properties or dynamical aspects. No prior knowledge of concepts specific to computational chemistry are assumed, but the reader will need some understanding of introductory quantum mechanics, linear algebra, and vector, differential and integral calculus. ... Read more

Customer Reviews (5)

Not a good book
I'm a practicing quantum chemist and I own this book, Levine, Szabo, Helgaker, etc.This is by far the worst book for many reasons.First, this book is not pedagogical, you will not learn HOW anything works, just what Jensen or common knowledge says about different methods.Second, Jensen isn't a very good quantum chemist and he's flat out wrong in some places.His remarks on relativistic effects in quantum chemistry elicited a "that's f***ing b***s**t" from an expert in relativistic quantum chemistry I know.

If you want to learn the basics of the methods, Levine, Szabo and Helgaker are the best, in order of difficulty, although review articles (free to academics) and lecture notes found on UGeorgia's CCC home page by David Sherrill are just as good for no cost.I have heard Cramer does a better job at the goal of this book, however, there's no point to writing these quasi-undergraduate textbooks since they aren't classroom-worthy, nor are they useful to any real researcher in the field.

Because one might not care for my review, here is a review in one of the foremost journals in chemistry:

Angewandte Chemie, Int. Ed., September 1999

The large and continually increasing importance of theoretical methods in the solution of chemical problems was impressively documented last year by the conferring of the Nobel price for chemistry on two extraordinary champions of this genre, John Pople and Walter Kohn. Of course, the appearance of Frank Jensen's textbook about computational chemistry could hardly have been better timed. In contrast to the numerous quantum-chemistry textbooks previously available, this book intends to cover the entire field of computational chemistry, although the main emphasis is clearly on the discussion of quantum-mechanical methods.

Jensen begins with an introductory, barely 50 page chapter about empirical force field methods. As in the rest of the book, the aspects being discussed are pleasantly geared toward the requirements of the potential user. In this manner, different parameterization strategies are discussed, and popular force fields are critically examined with regard to their fields of application and are compared to each other. Additional, modern approaches such as the determination of transition structures through force field calculations or the combination of force field methods with quantum-chemical strategies are introduced. Chapters follow in which a conventional, if also state of the art, introduction to the predominant tools of quantum chemistry - the Hartree-Fock approximations, important semiempirical methods (from the H?ckel model to PM3 and SAM1_, and current methods for the inclusion of electron correlation (configuration interaction, perturbation theory, coupled cluster) - is given. These sections are sensibly supplemented by a chapter dedicated to the different basis sets and their characteristics, in which extrapolation methods such as the different Gaussian-1 and -2, CBS, or PCI-X methods are also included. A modern theoretical textbook can naturally not be without a chapter about density functional theory, so their fundamentals and popular functionals are on 15 pages concisely introduced. Somewhat more specialized sections follow about valence-bond methods, relativistic approaches, population analysis, and the calculation of molecular properties. Subsequently, an entire discusses the accuracies of the previous introduced methods, with respect to the calculation of energies, geometries, vibrational frequencies, dipole moments, and so on. Fortunately, this discussion is not limited to the ubiquitous water molecule, but rather treats several systems that are more difficult. In the last third of this work, further points important to the subject of the book are worked through, unfortunately rather disjointedly. The relationships between thermodynamic quantities or absolute rate constants and the calculation of molecularquantities are established. The relevant methods for the optimization of minima and saddle points on potential energy surfaces are discussed and the qualitative concepts of frontier orbital theory and related approaches are expounded. Finally, simulation techniques such as the Monte-Carlo method or molecular dynamics, as well as approximate methods for the inclusion of solvent effect (COSMO, PCM, etc.) are introduced.

Based on the organization of the content and the elementary level of the presentation especially in the first part, this book serves as a useful accompanying text for application-oriented seminars and classes. As a rule, these cover a similar variety of subjects, and do not reduce the modeling and simulation methods to quantum chemistry. Beyond that, the efforts of the author to deliver a modern book that reflects the current state of the art are to be commended. Recent developments, such as hybrid strategies for the combination of force field and quantum-mechanical methods, the R12 approach in the calculations of electron correlation, or fast-multipole as well as pseudospectral methods for the efficient calculation of Columbic interactions are taken up in the discussion. Correspondingly up-to-date are the many useful references, which are as recent as 1998.

Despite this generally positive impression, there are some naturally some details that give rise to critical comments. For example, in some places the mathematical formalisms are described in great detail, while their interpretation is neglected. This is especially striking in the discussion of the density functionals. The highly complex expressions for, for example, Vosko, Wilk, and Nusair (VWN) or Lee, Yang, and Parr (LYP) correlation functionals are reproduced in all their beauty, although the actually do not reflect the underlying physics, but rather springs from purely pragmatic considerations. This reference fails, however, so that the complicated mathematics puts one off and do not impart any increased knowledge. Similar observations can be made about both the overly demanding sections about relativistic methods and the calculation of molecular properties. Here, the level is anything but elementary, much is assumed, and the description is far too compact. It is debatable, for instance, whether the highly complex discussion of propargators methods would be at all helpful to the reader of this book. Similarly, one can ask what the use the reader can make of the barely two-page appendix on the subject of ?second quantization.? which has no recognizable connection to the rest of the text. Here, less would surely have been more. Many smaller inconsistencies also blur the picture, such as when important concepts are used without comment many pages before they are introduced (e.g. ?natural orbitals?), or are never explained in greater detail (e.g. ?gradient norm?). Many misprints have also unfortunately crept in. Apart from the omission of a factor of ?N? in the definition of electron density, these are luckily only distracting and do not invalidate the contents. In the reference section in particular, one finds many wayward spellings of the authors? names. Also conspicuous is the clear and not always professionally understandable preference for Scandinavian authors in the selection of literature references.

Nevertheless, these critical comments should not obscure the fact that this book is an interesting new release. It covers the subject relevant to this area, is modern, and is over all pleasantly and understandably written. Jensen?s book will, despite the small problems, live up to the claims of being a useful introduction to the techniques of computational chemistry. It can be recommended to students of general chemistry,a s well as those scientists interested in the subject, especially in the view of its pleasantly moderate price.

Wolfram Koch
Gesellshaft Deutscher Chemiker
Frankfurt a.M. (Germany)

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

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

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

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

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An authoritative review of modern sensor technology-essential information for analytical chemists, biochemists, biotechnologists, spectroscopists, and chemical engineers

As sensors begin to realize their commercial and practical potential in fields ranging from the automobile and semiconductor industries to environmental monitoring and clinical diagnostics, this timely work offers an important survey of the principles, construction, and applications of the most popular types of chemical and biological sensors in use today.

Principles of Chemical and Biological Sensors brings together a wealth of valuable material in a single source, providing scientists and researchers with a basic grasp of the latest developments in this area, as well as information on trends and future directions.

Coverage includes:
* Amperometric, modified, potentiometric, and voltammetric electrodes
* Optrodes and direct spectroscopic methods
* Enzyme and antibody based biosensors
* Processing signals from sensors
* Miniaturization of sensors
* Sensor arrays and intelligent sensing systems

Principles of Chemical and Biological Sensors is an essential reference for scientists in research and industry aiming to make optimum use of these cutting-edge devices in their work.

Spurred by a dramatic increase in R&D support over the last twenty years, sensors are poised for a revolution similar to the one seen in microcomputers in the late 1980s. Matching enhanced performance with lower cost, new generations of sensing devices promise to gain a firm footing in many different areas, from environmental regulation to manufacturing and other industries.

Principles of Chemical and Biological Sensors offers a state-of-the-art look at the principles and applications of the most popular sensors available today, coupled with an exploration of potential directions and developments for the future of this dynamic field. From amperometric, potentiometric, and voltammetric electrodes to smart sensors, digital filtering, and more, this useful volume contains essential information across a range of sensor types and functions. Topics covered include:
* Ion-selective electrodes and optrodes
* Amperometric methods of detection
* Biomaterials for biosensors
* Optical chemical sensors
* Miniaturized chemical sensors
* Sensor signal processing

Expertly balancing breadth and depth of coverage within a single, easy-to-use resource, Principles of Chemical and Biological Sensors is essential reading for analytical chemists, biochemists, chemical engineers, and others who will benefit from the tremendous strides being made in sensor research and technology today. ... Read more

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FUNDAMENTALS OF ANALYTICAL CHEMISTRY, EIGHTH EDITION is known for its readability combined with a systematic, rigorous approach that characterizes this classic text. Extensive coverage of the principles and practices of quantitative chemistry ensures suitability for chemistry majors. These award-winning authors include applications throughout industry, medicine, and all the sciences. The text's new design and wealth of new photographs by renowned chemistry photographer Charlie Winters serve to reinforce student learning through dynamic visuals. ... Read more

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This volume provides a practical, intuitive approach to electroanalytical chemistry, presenting fundamental concepts and experimental techniques without the use of technical jargon or unnecessarily extensive mathematics. This edition offers new material on ways of preparing and using microelectrodes, the processes that govern the voltammetric behavior of microelectrodes, methods for characterizing chemically modified electrodes, electrochemical studies at reduced temperatures, and more. The authors cover such topics as analog instrumentation, overcoming solution resistance with stability and grace in potentiostatic circuits, conductivity and conductometry, electrochemical cells, carbon electrodes, film electrodes, microelectrodes, chemically modified electrodes, mercury electrodes, and solvents and supporting electrolytes. ... Read more

Customer Reviews (2)

Excellentreference for practising analytical chemists
This text is an excellent reference for practising analytical chemists. As the title indicates, the emphasis is on analytical chemistry, not physical chemistry. It presents the physical aspects of electrochemical phenomena lucidly, without getting bogged down in the tedium of deriving &solving diffusion equations. The text is comprehensive in treating themajor electroanalytical experiments, written by leaders in their respective fields. I give this to graduate students in analytical chemistry and find that they really like it.It is well-referenced, has good figures & tables, and is reasonably priced. This text is a must for transferring your ideas for experiments to the bench.

good book for electrochemists
Good for professors to use as a textbook. Handbook for all electrochemists ... Read more

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This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation of approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity. ... Read more

Customer Reviews (1)

Easily the best book on the topic
The two authors have succeeded in delivering a didactically well prepared textbook. The writing is very clear ( as was to be expected knowing the elegant writing of articles published by the authors). The authors have succeeded in the difficult act of balancing between to much background information and too little (ragarding both physics and mathematics). Especially for a topic like relativistic quantum chemistry it is important to find a style that is comprehensible for chemists. Reading this book is really highly rewarding, the authors insightful writing reveals interesting connections and gives explanations that can easily be missed by going through textbooks written for theoretical physicists. The book covers all important aspects of relativistic quantum chemistry and gives even a short introduction to QED and parity violation. I can recommend this book wholeheartedly to both teachers and students interested in the topic. ... Read more

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A multidisciplinary approach to understanding the fundamentals of mass spectrometry for bacterial analysis

From chemotaxonomy to characterization of targeted proteins, Identification of Microorganisms by Mass Spectrometry provides an overview of both well-established and cutting-edge mass spectrometry techniques for identifying microorganisms. A vital tool for microbiologists, health professionals, and analytical chemists, the text is designed to help scientists select the most effective techniques for use in biomedical, biochemical, pharmaceutical, and bioterror defense applications.

Since microbiological applications of mass spectrometry require a basic understanding of both microbiology and analytical chemistry, the editors have incorporated material from both disciplines so that readers from either field will come to understand the necessary principles of the other. Featuring contributions from some of the most recognized experts in both fields, this volume provides specific examples of fundamental methods as well as approaches developed in the last decade, including:
* Metastable atom bombardment pyrolysis mass spectrometry
* Matrix-assisted laser desorption/ionization mass spectrometry (MALDI)
* MALDI time-of-flight mass spectrometry (MALDI-TOF MS) of intact bacteria
* High-resolution Fourier transform mass spectrometry (FTMS)
* Electrospray ionization (ESI) mass spectrometry

Identification of Microorganisms by Mass Spectrometry represents the most comprehensive and up-to-date work on the topic currently available. It is liberally illustrated with figures and tables and covers every aspect of spectrometric identification of microorganisms, including experimental procedures, various means of sample preparation, data analysis, and interpretation of complex mass spectral data. ... Read more

Customer Reviews (1)

Excellent book with plenty of typos
I learned a lot from this book. But the 2nd edition has a lot of typos the 1st edition doesn't have. The companion answerbook that lists answers to the questions in Physical Methods is a rip-off. ... Read more

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This is an OCR edition without illustrations or index. It may have numerous typos or missing text. However, purchasers can download a free scanned copy of the original rare book from GeneralBooksClub.com. You can also preview excerpts from the book there. Purchasers are also entitled to a free trial membership in the General Books Club where they can select from more than a million books without charge. Original Published by: The Macmillan Company in 1900 in 200 pages; Subjects: Chemistry, Analytic; Science / Chemistry / General; Science / Chemistry / Analytic; Science / Spectroscopy & Spectrum Analysis; ... Read more

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X-ray fluorescence spectroscopy, one of the most powerful and flexible techniques available for the analysis and characterization of materials today, has gone through major changes during the past decade.
Fully revised and expanded by 30%, X-Ray Fluorescence Spectrometry, Second Edition incorporates the latest industrial and scientific trends in all areas. It updates all previous material and adds new chapters on such topics as the history of X-ray fluorescence spectroscopy, the design of X-ray spectrometers, state-of-the-art applications, and X-ray spectra.
Ron Jenkins draws on his extensive experience in training and consulting industry professionals for this clear and concise treatment, covering first the basic aspects of X rays, then the methodology of X-ray fluorescence spectroscopy and available instrumentation. He offers a comparison between wavelength and energy dispersive spectrometers as well as step-by-step guidelines to X-ray spectrometric techniques for qualitative and quantitative analysis-from specimen preparation to real-world industrial application.
Favored by the American Chemical Society and the International Centre for Diffraction Data, X-Ray Fluorescence Spectrometry, Second Edition is an ideal introduction for newcomers to the field and an invaluable reference for experienced spectroscopists-in chemical analysis, geology, metallurgy, and materials science.
An up-to-date review of X-ray spectroscopic techniques. This proven guidebook for industry professionals is thoroughly updated and expanded to reflect advances in X-ray analysis over the last decade. X-Ray Fluorescence Spectrometry, Second Edition includes:
* The history of X-ray fluorescence spectrometry-new to this edition.
* A critical review of the most useful X-ray spectrometers.
* Techniques and procedures for quantitative and qualitative analysis.
* Modern applications and industrial trends.
* X-ray spectra-new to this edition. ... Read more

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The second edition of this popular title Archaeological Chemistry builds on the successful formula of the first edition. The existing case studies have been expanded to take account of new perspectives and new data in the intervening decade since the 1st edition was published. In addition, two new chapters emphasise the significant increase in molecular and isotopic analysis of organic remains. The two new chapters (stable isotopes and molecules and milk) bring together recent literature about ancient human diets.

Archaeological Chemistry 2nd edition aims to demonstrate the importance and utility of scientific techniques applied to the study of the past. In particular, the role of chemistry is emphasised through a series of case studies. The authors present the scientific investigation as a challenging field of enquiry rather than a routine application of established procedures.

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Describes the basics of analytical techniques, sampling and data handling in order to improve quality control in analytical laboratory management. Stresses what quality parameters can be improved and which ones should be rectified first. This edition includes numerous modern methods and the latest developments in time-proven techniques. ... Read more

Customer Reviews (1)

A too much teorical book
Who consults the index of this book may be sure of finding there all the aspects of quality control,from quality assurance to mathematical aspects rarely found on books of this purpose (like "Data Filtering" or"Furrier Transforms of Data"). Whatever, all this mathematicalaspects have their development of a very theorical way, with a very smallnumber of examples. If we wish to tell in other way, this book is not anindicated one to implementation of a quality control, being in fact verymathematical "strong" in presentation of some concepts (alwayswithout examples). There's no necessity of demonstrations not even ofmathematical integers even in the aplication of some advanced concepts ofstatistic.It has a good chapter about sampling, in the diverse phisicalforms, and after a huge chapter about "data analisys" where, withso many themes and so mathematical material, none of them is very wellexplained making impossible any pratic aplication. A more correct name tothis book would be "Further Analysis in Quality Control" or" Advanced Subjects in Quality Control." The sub-chapter about Filtration of Noise, between others, seems very mathematical being lots ofothers simpler aspects to ilustrate. For being a small book, even thecomplex is detailed. ... Read more

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This text presents the current knowledge of environmental colloids and includes reviews of the current understanding of structure, role and behaviour of environmental colloids and particles, whilst focussing directly on aquatic systems and soils. In addition, there is substantial critical assessment of the techniques employed for the sampling, size fractionation and characterisation of colloids and particles. Chemical, physical and biological processes and interactions involving colloids are described, and particular attention is paid to quantitative approaches that take account of particle heterogeneity and polydispersity.

• Presents critical reviews of the state-of-the-art knowledge of environmental colloids
• Critical assessment of techniques employed for the sampling, size fractionation and characterisation of colloids and particles are given
• Theoretical and experimental aspects of the methods as well as the required developments and possible recommendations are discussed
• Each chapter gives a brief introduction general enough for the non-specialist
• Written by a internationally recognized group of contributors

Customer Reviews (1)

suitable for geochemists dealing with nano particles
It was great to find this before I start nanoscience as a geochemist.
We can learn everything about collidal particles of our interest, from basics to the latest analytical methods. This is extremely useful for beginners.
Also, this book is full of critical reviews with many useful references. We can deepen our understanding from them.
Finally, we can learn about particles other than our major interest. It is better to know something about inorganic particles, even though you are studying organic particles, and vice versa.
This book has helped me a lot in only a few weeks since I started reading it. ... Read more