Calculations in Chemistry

A Practical Approach
Author: Kingsley Anaba,MR Kingsley Anaba Msc
Publisher: CreateSpace
ISBN: 9781508705239
Category:
Page: 212
View: 9141
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Ever thought there could be an easy way to master calculations in chemistry? Well, this book takes a practical and common sense approach to calculations in chemistry. Learners from GCSE/O'Levels right through to A Levels will find this book very indispensable as it covers calculations from the basics, starting from the building blocks of matter down to more complicated calculations in chemistry. This book touches on nearly all types of calculation you could come across in secondary school right up to second year in the university or college, gradually building up on the learners basic understandings of the inner workings of the subject.

Contemporary Chemistry: A Practical Approach


Author: Leonard Saland
Publisher: Walch Publishing
ISBN: 9780825123184
Category: Education
Page: 170
View: 5974
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This comprehensive guide gives you lesson plans, activities, and tests for two sequential, semester-long chemistry courses. It is designed to work with our student book Contemporary Chemistry. Each lesson plan features: a DO NOW section to engage students as soon as they get to class instructional objectives an aimfor that class period a motivational application questions or demonstrations to help students draw valid conclusions homework assignments You also get term calendars, weekly tests, and complete answer keys.

Basic Principles of Calculations in Chemistry


Author: Ayorinde Awonusi
Publisher: Lulu.com
ISBN: 0615408001
Category: Science
Page: 488
View: 4714
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Basic Principles of Calculations in Chemistry is written specifically to assist students in understanding chemical calculations in the simplest way possible. Chemical and mathematical concepts are well simplified; the use of simple language and stepwise explanatory approach to solving quantitative problems are widely used in the book. Senior secondary school, high school and general pre-college students will find the book very useful as a study companion to the courses in their curriculum. College freshmen who want to understand chemical calculations from the basics will also find many of the chapters in this book helpful toward their courses. Hundreds of solved examples as well as challenging end-of-chapter exercises are some of the great features of this book. . Students studying for SAT I & II, GCSE, IGCSE, UTME, SSCE, HSC, and other similar examinations will benefit tremendously by studying all the chapters in this book conscientiously.

A Practical Introduction to the Simulation of Molecular Systems


Author: Martin J. Field
Publisher: Cambridge University Press
ISBN: 9780521581295
Category: Science
Page: 325
View: 7052
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Advanced text on computer modeling in chemistry and physics.

Density Functional Theory

A Practical Introduction
Author: David Sholl,Janice A Steckel
Publisher: John Wiley & Sons
ISBN: 1118211049
Category: Science
Page: 252
View: 6407
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Demonstrates how anyone in math, science, and engineering canmaster DFT calculations Density functional theory (DFT) is one of the most frequentlyused computational tools for studying and predicting the propertiesof isolated molecules, bulk solids, and material interfaces,including surfaces. Although the theoretical underpinnings of DFTare quite complicated, this book demonstrates that the basicconcepts underlying the calculations are simple enough to beunderstood by anyone with a background in chemistry, physics,engineering, or mathematics. The authors show how the widespreadavailability of powerful DFT codes makes it possible for studentsand researchers to apply this important computational technique toa broad range of fundamental and applied problems. Density Functional Theory: A Practical Introductionoffers a concise, easy-to-follow introduction to the key conceptsand practical applications of DFT, focusing on plane-wave DFT. Theauthors have many years of experience introducing DFT to studentsfrom a variety of backgrounds. The book therefore offers severalfeatures that have proven to be helpful in enabling students tomaster the subject, including: Problem sets in each chapter that give readers the opportunityto test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are usedto solve real-world problems Further readings listed in each chapter enabling readers toinvestigate specific topics in greater depth This text is written at a level suitable for individuals from avariety of scientific, mathematical, and engineering backgrounds.No previous experience working with DFT calculations is needed.

Using Artificial Intelligence in Chemistry and Biology

A Practical Guide
Author: Hugh Cartwright
Publisher: CRC Press
ISBN: 9780849384141
Category: Science
Page: 360
View: 1600
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Possessing great potential power for gathering and managing data in chemistry, biology, and other sciences, Artificial Intelligence (AI) methods are prompting increased exploration into the most effective areas for implementation. A comprehensive resource documenting the current state-of-the-science and future directions of the field is required to furnish the working experimental scientist and newcomer alike with the background necessary to utilize these methods. In response to the growing interest in the potential scientific applications of AI, Using Artificial Intelligence in Chemistry and Biology explains in a lucid, straightforward manner how these methods are used by scientists and what can be accomplished with them. Designed for those with no prior knowledge of AI, computer science, or programming, this book efficiently and quickly takes you to the point at which meaningful scientific applications can be investigated. The approach throughout is practical and direct, employing figures and illustrations to add clarity and humor to the topics at hand. Unique in scope, addressing the needs of scientists across a range of disciplines, this book provides both a broad overview and a detailed introduction to each of the techniques discussed. Chapters include an introduction to artificial intelligence, artificial neural networks, self-organizing maps, growing cell structures, evolutionary algorithms, cellular automata, expert systems, fuzzy logic, learning classifier systems, and evolvable developmental systems. The book also comes with a CD containing a complete version of the EJS software with which most of the calculations were accomplished. Encouraging a broader application of AI methods, this seminal work gives software designers a clearer picture of how scientists use AI and how to address those needs, and provides chemists, biologists, physicists, and others with the tools to increase the speed and efficiency of their work.

Quality Assurance and Quality Control in the Analytical Chemical Laboratory

A Practical Approach, First Edition
Author: N.A
Publisher: CRC Press
ISBN: 9781420082715
Category: Science
Page: 232
View: 2696
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A Practical Tool for Learning New Methods Quality assurance and measurement uncertainty in analytical laboratories has become increasingly important. To meet increased scrutiny and keep up with new methods, practitioners very often have to rely on self-study. A practical textbook for students and a self-study tool for analytical laboratory employees, Quality Assurance and Quality Control in the Analytical Chemical Laboratory: A Practical Approach defines the tools used in QA/QC, especially the application of statistical tools during analytical data treatment. Unified Coverage of QA in Analytical Chemistry Clearly written and logically organized, this book delineates the concepts of practical QA/QC, taking a generic approach that can be applied to any field of analysis. Using an approach grounded in hands-on experience, the book begins with the theory behind quality control systems and then moves on to discuss examples of tools such as validation parameter measurements, the use of statistical tests, counting the margin of error, and estimating uncertainty. The authors draw on their experience in uncertainty estimation, traceability, reference materials, statistics, proficiency tests, and method validation to provide practical guidance on each step of the process. Extended Coverage of QC/QA in Analytical and Testing Laboratories Presenting guidance on all aspects of QA and measurement results, the book covers QC/QA in a more complex and extended manner than other books on this topic. This range of coverage supplies an integrated view on measures like the use of reference materials and method validation. With worked-out examples and Excel spreadsheets that users can use to try the concepts themselves, the book provides not only know-what but know-how.

Measurement Uncertainty in Chemical Analysis


Author: Paul De Bièvre,Helmut Günzler
Publisher: Springer Science & Business Media
ISBN: 3662051737
Category: Science
Page: 283
View: 5505
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It is now becoming recognized in the measurement community that it is as important to communicate the uncertainty related to a specific measurement as it is to report the measurement itself. Without knowing the uncertainty, it is impossible for the users of the result to know what confidence can be placed in it; it is also impossible to assess the comparability of different measurements of the same parameter. This volume collects 20 outstanding papers on the topic, mostly published from 1999-2002 in the journal "Accreditation and Quality Assurance." They provide the rationale for why it is important to evaluate and report the uncertainty of a result in a consistent manner. They also describe the concept of uncertainty, the methodology for evaluating uncertainty, and the advantages of using suitable reference materials. Finally, the benefits to both the analytical laboratory and the user of the results are considered.

Practical Approach to Exergy and Thermoeconomic Analyses of Industrial Processes


Author: Enrique Querol,Borja Gonzalez-Regueral,Jose Luis Perez-Benedito
Publisher: Springer Science & Business Media
ISBN: 1447146220
Category: Business & Economics
Page: 84
View: 7788
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Although the exergy method has been featured as the subject of many publishing papers in scientific and engineering journals and at conferences, very few comprehensive books on this subject have been published so far. Practical Approach to Exergy and Thermoeconomic Analyses of Industrial Processes details the exergetic and thermoeconomic analyses of industrial processes using Aspen Plus and a novel Microsoft Excel Application developed by the authors which can be applied to industrial processes across the board. Employing a practical approach to an innovative and complex energy process, every chapter contains extensive explanations of a complex and real case and numerous examples whose solution demonstrates the application of theory to a wide range of real and practical problems. Illustrations, tables and graphs support and illustrate the new methodology to build a deep understanding of the real employment of the fuel used and the cost formation and increase inside the process. Practical Approach to Exergy and Thermoeconomic Analyses of Industrial Processes provides users, students and practitioners of process analysis, power plant design and fuel use optimization, with a broad introduction and approach to computer aided process optimization. It also serves as a comprehensive guide to the operational application of the MHBT to real cases analysis.

Free Energy Calculations

Theory and Applications in Chemistry and Biology
Author: Christophe Chipot,Andrew Pohorille
Publisher: Springer Science & Business Media
ISBN: 3540384480
Category: Science
Page: 518
View: 7269
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This volume offers a coherent account of the concepts that underlie different approaches devised for the determination of free energies. It provides insight into the theoretical and computational foundations of the subject and presents relevant applications from molecular-level modeling and simulations of chemical and biological systems. The book is aimed at a broad readership of graduate students and researchers.

Annual Reports in Computational Chemistry


Author: Ralph A. Wheeler
Publisher: Newnes
ISBN: 0444594590
Category: Science
Page: 208
View: 6107
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Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists

Modern Density Functional Theory: A Tool For Chemistry


Author: P. Politzer,Jorge M. Seminario
Publisher: Elsevier
ISBN: 9780080536705
Category: Science
Page: 404
View: 8269
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Density Functional Theory (DFT) is currently receiving a great deal of attention as chemists come to realize its important role as a tool for chemistry. This book covers the theoretical principles of DFT, and details its application to several contemporary problems. All current techniques are covered, many are critically assessed, and some proposals for the future are reviewed. The book demonstrates that DFT is a practical solution to the problems standard ab initio methods have with chemical accuracy. The book is aimed at both the theoretical chemist and the experimentalist who want to relate their experiments to the governing theory. It will prove a useful and enduring reference work.

A Practical Approach to Pediatric Anesthesia


Author: Robert S. Holzman,Thomas J. Mancuso,David M. Polaner
Publisher: Lippincott Williams & Wilkins
ISBN: 9780781779432
Category: Medical
Page: 690
View: 4139
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This new addition to our highly successful A Practical Approach to Anesthesia series is a comprehensive, accessible guide to pediatric anesthesia, with the substance and depth of a textbook and the convenient, user-friendly features of a handbook. It focuses on clinical issues, contains enough academic material for board review, and is written in bulleted and outline format, with numerous illustrations and tables. Major sections focus on approach to the pediatric patient, clinical and operational aspects of pediatric anesthesia, anesthetic management of normalities and abnormalities of each organ system, and special situations such as fetal surgery, anesthesia outside the operating room, and trauma. Emphasis is on the developmental aspects—anatomic, physiologic, and pharmacologic—that require special attention in anesthesia planning.

Fundamental World of Quantum Chemistry

A Tribute to the Memory of Per-Olov Löwdin
Author: Erkki J. Brändas,Eugene S. Kryachko
Publisher: Springer Science & Business Media
ISBN: 9781402025839
Category: Science
Page: 677
View: 8576
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Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of the conceptual framework of Quantum Chemistry and introduction of the fundamental concepts; through a staggering number of regular summer schools, winter institutes, innumerable lectures at Uppsala, Gainesville and elsewhere, and Sanibel Symposia; by founding the International Journal of Quantum Chemistry and Advances in Quantum Chemistry; and through his vision of the possible and his optimism for the future, which has inspired generations of physicists, chemists, mathematicians, and biologists to devote their lives to molecular electronic theory and dynamics, solid state, and quantum biology. Fundamental World of Quantum Chemistry: Volumes I, II and III form a collection of papers dedicated to the memory of Per-Olov Löwdin. These volumes are of interest to a broad audience of quantum, theoretical, physical, biological, and computational chemists; atomic, molecular, and condensed matter physicists; biophysicists; mathematicians working in many-body theory; and historians and philosophers of natural science. The volumes will be accessible to all levels, from students, PhD students, and postdocs to their supervisors.

Protein Structure Prediction : A Practical Approach

A Practical Approach
Author: Michael J. E. Sternberg
Publisher: Oxford University Press, USA
ISBN: 0191588997
Category:
Page: 318
View: 1216
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The three-dimensional structure of proteins is a key factor in their biological activity. There is an increasing need to be able to predict the structure of a protein once its amino-acid sequence is known; this book presents practical methods of achieving that ambitious aim, using the latest computer modelling algorithms. - ;The prediction of the three-dimensional structure of a protein from its sequence is a problem faced by an ever-increasing number of biological scientists as they strive to utilize genetic information. The increasing sizes of the sequence and structural databases, the improvements in computing power, and the deeper understanding of the principles of protein structure have led to major developments in the field in the last few years. This book presents practical computer-based methods using the latest computer modelling algorithms. -

Engineering for Sustainability

A Practical Guide for Sustainable Design
Author: Gerald Jonker,Jan Harmsen
Publisher: Elsevier
ISBN: 0444538461
Category: Science
Page: 110
View: 3059
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Preface -- 1. Introduction -- 2. Setting up a design assignment -- 3. Structuring the sustainability context -- 4. Creating design solutions -- 5. Acquiring sustainable design competences.

Fundamentals of Biochemical Calculations, Second Edition


Author: Krish Moorthy
Publisher: CRC Press
ISBN: 1420053582
Category: Medical
Page: 192
View: 3791
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Fundamentals of Biochemical Calculations, Second Edition demystifies the fundamental calculations used in modern biochemistry, cell biology, and allied biomedical sciences. The book encouragesbothundergraduates and scientists to develop an understanding of the processes involved in performing biochemical calculations, rather than rely on memorized formulae. Detailed calculation steps, useful comments, and mathematical hints enhance solved problems throughout... Encouraging the use of the Ratio Method, the author draws attention to its applicability to a wide variety of biochemistry problems with logical consistency and intuitive ease. This entirely revised and updated second edition introduces three new chapters with coverage of laboratory-oriented calculations and data presentation, calculations relating to the emerging techniques in DNA and molecular biology, and applying the Ratio Method to pharmaceutical calculations. New edition adds questions and extra tips in every chapter to help students perform biochemical calculations on their own! By strengthening their understanding of mathematical logic and problem solving skills, Fundamentals of Biochemical Calculations, Second Edition enables students and biochemists to explore a wider range of real-world applications with the ability to tackle increasingly complex problems in biochemistry and related fields.

Fundamentals of Quantum Chemistry

Molecular Spectroscopy and Modern Electronic Structure Computations
Author: Michael P. Mueller
Publisher: Springer Science & Business Media
ISBN: 0306475669
Category: Science
Page: 265
View: 8739
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As quantum theory enters its second century, it is fitting to examine just how far it has come as a tool for the chemist. Beginning with Max Planck’s agonizing conclusion in 1900 that linked energy emission in discreet bundles to the resultant black-body radiation curve, a body of knowledge has developed with profound consequences in our ability to understand nature. In the early years, quantum theory was the providence of physicists and certain breeds of physical chemists. While physicists honed and refined the theory and studied atoms and their component systems, physical chemists began the foray into the study of larger, molecular systems. Quantum theory predictions of these systems were first verified through experimental spectroscopic studies in the electromagnetic spectrum (microwave, infrared and ultraviolet/visible), and, later, by nuclear magnetic resonance (NMR) spectroscopy. Over two generations these studies were hampered by two major drawbacks: lack of resolution of spectroscopic data, and the complexity of calculations. This powerful theory that promised understanding of the fundamental nature of molecules faced formidable challenges. The following example may put things in perspective for today’s chemistry faculty, college seniors or graduate students: As little as 40 years ago, force field calculations on a molecule as simple as ketene was a four to five year dissertation project.

A Practical Guide to Supramolecular Chemistry


Author: Peter Cragg
Publisher: Wiley
ISBN: 9780470866535
Category: Science
Page: 214
View: 2223
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A Practical Guide to Supramolecular Chemistry is an introductory manual of practical experiments for chemists with little or no prior experience of supramolecular chemistry. Syntheses are clearly presented to facilitate the preparation of acyclic and macrocyclic compounds frequently encountered in supramolecular chemistry using straightforward experimental procedures. Many of the compounds can be used to illustrate classic supramolecular phenomena, for which clear directions are given, or may be developed further as part of the reader's own research. The book also describes techniques commonly used in the analysis of supramolecular behaviour, including computational methods, with many detailed examples. An invaluable reference for students and researchers in the field embarking on supramolecular chemistry projects and looking for a 'tried and tested' route into the chemistry of key compounds. An introductory guide to practical syntheses focusing on supramolecular chemistry. Fully referenced introductions explain the historical and contemporary importance of each compound Supplementary website including 3D molecular structures, FAQ's about syntheses and suggestions for further experiments

Power Plant Water Chemistry

A Practical Guide
Author: Brad Buecker
Publisher: PennWell Books
ISBN: 9780878146192
Category: Technology & Engineering
Page: 251
View: 1256
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Plant efficiency and profitability depend on avoiding such problems as pH extremes, oxygen scavenging, corrosion, scale, and contamination. This practical handbook provides detailed discussion and examples of solutions to water chemistry problems in power plant boilers. Formulas and calculations are provided for each area of concern. Contents: Introduction to steam generation to water chemistry systems; Condensate feedwater chemistry; Boiler water chemistry; Steam chemistry; High-purity makeup water treatment; Cooling water chemistry; Sampling.