A Chemist's Toolkit of Calculations

Author: Paul Monk,Lindsey J. Munro

Publisher: Oxford University Press

ISBN: 0199541299

Category: Mathematics

Page: 542

View: 7718

Maths for Chemistry recognizes the challenges faced by many students in equipping themselves with the maths skills needed to gain a full understanding of chemistry, offering a carefully-structured and steadily-paced introduction to the essential mathematical concepts all chemistry students should master.
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Author: Arthur Winter

Publisher: John Wiley & Sons

ISBN: 3527822402

Category: Science

Page: 370

View: 5812

Man könnte meinen, dass eine Wissenschaft, die sich hauptsächlich mit Verbindungen eines einzigen Elements auseinandersetzt, vergleichsweise übersichtlich ist. Doch Kohlenstoff ist ein ganz besonderes Element, denn Kohlenstoffverbindungen bilden die Grundlagen des Lebens. "Organische Chemie für Dummies" führt Sie in die Geheimnisse der organischen Verbindungen ein, erklärt Ihnen die Grundlagen der Spektrometrie und Spektroskopie, zeigt Ihnen, welche Reaktionen möglich und welche unmöglich sind und vieles mehr. Nach jedem Kapitel finden Sie Übungsaufgaben mit ausführlichen Lösungen. So unterstützt Sie das Buch bei Ihrem Einstieg in die Organische Chemie.
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Author: Martin Cockett,Graham Doggett

Publisher: Royal Society of Chemistry

ISBN: 9780854046775

Category: Education

Page: 189

View: 3266

An excellent resource for students who need support and understanding in working with the diverse mathematical tools required in a typical chemistry degree course.
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Author: Martin Cockett,Graham Doggett

Publisher: Royal Society of Chemistry

ISBN: 1849733597

Category: Education

Page: 389

View: 8380

This is a new edition of the combined Volumes I and II of the hugely successful Tutorial Chemistry Texts Maths for Chemists. The new edition will continue to provide an excellent resource for all undergraduate chemistry students particularly focussing on the needs of students who may not have studied mathematics beyond GCSE level (or equivalent). The text is introductory in nature and adopts a sympathetic approach for students who need support and understanding in working with the diverse mathematical tools required in a typical chemistry degree course. The topics covered include: power series, which are used to formulate alternative representations of functions and are important in model building in chemistry; complex numbers and complex functions, which appear in quantum chemistry, spectroscopy and crystallography; matrices and determinants used in the solution of sets of simultaneous linear equations and in the representation of geometrical transformations used to describe molecular symmetry characteristics; and vectors which allow the description of directional properties of molecules. New material includes a new chapter on Statistics and Error Analysis. Ideal for the needs of undergraduate chemistry students, Maths for Chemists is a comprehensive text consisting of short, single topic or modular texts concentrating on the fundamental areas of chemistry taught in undergraduate science courses. It provides a concise account of the basic principles underlying a given subject, embodying an independent-learning philosophy and including worked examples.
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Author: John T. Moore

Publisher: John Wiley & Sons

ISBN: 3527816933

Category: Science

Page: 384

View: 7167

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Author: Duward F. Shriver,Peter W. Atkins,Cooper H. Langford

Publisher: John Wiley & Sons

ISBN: 9783527292509

Category: Science

Page: 909

View: 2925

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Author: Jeffrey J. Heys

Publisher: John Wiley & Sons

ISBN: 1119267064

Category: Science

Page: 288

View: 6899

Presents standard numerical approaches for solving common mathematical problems in engineering using Python. Covers the most common numerical calculations used by engineering students Covers Numerical Differentiation and Integration, Initial Value Problems, Boundary Value Problems, and Partial Differential Equations Focuses on open ended, real world problems that require students to write a short report/memo as part of the solution process Includes an electronic download of the Python codes presented in the book
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A Comprehensive Guide

Author: E. Joseph Billo

Publisher: John Wiley & Sons

ISBN: 047146080X

Category: Science

Page: 483

View: 4685

Reviews from the First Edition: "Excel® for Chemists should be part of any academic library offering courses and programs in chemistry. There is no other book on the market that deals so thoroughly with the application of Excel for analyzing chemical data. Highly recommended, for upper-division undergraduates through professionals." -Choice "I highly recommend this book; treat yourself to it; assign it to a class; give it as a gift." -The Nucleus Chemists across all subdisciplines use Excel to record data in tabular form, but few have learned to take full advantage of the scientific calculating power within this program. Excel is capable of helping chemists process, analyze, and present scientific data, from the relatively simple to the highly complex. Excel® for Chemists, Second Edition has been revised and updated, not only to take into account the changes that were made in Excel, but also to incorporate an abundance of new examples. Arranged in a user-friendly format, this book contains illustrations and examples of chemical applications, useful "How to" boxes outlining how to accomplish complex tasks in Excel, and step-by-step instructions for programming Excel to automate repetitive data-processing tasks. In addition, tips are provided to speed, simplify, and improve your use of Excel. Included is a CD-ROM, usable in either Macintosh or IBM/Windows environments with many helpful spreadsheet templates, macros, and other tools. Entirely new chapters contained in this Second Edition feature: Array formulas covered in depth in a separate chapter, along with a comprehensive review of using arrays in VBA How to create a worksheet with controls, such as option buttons, check boxes, or a list box An extensive list of shortcut keys-over 250 for Macintosh or PC-is provided in the appendix Whether as a text for students or as a reference for chemical professionals in industry, academia, or government, Excel® for Chemists, Second Edition provides a valuable resource for using Excel to manage various chemical calculations.
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Mathematics and Statistics in Chemistry

Author: B.R. Kowalski

Publisher: Springer Science & Business Media

ISBN: 9401710260

Category: Science

Page: 485

View: 3987

At a time when computerized laboratory automation is producing a da ta explosion, chemists are turning to applied mathematics and statistics for the tools to extract useful chemical information from data. This rush to find applicable methods has lead to a somewhat confusing body of literature that represents a barrier to chemists wishing to learn more about chemometrics. The confusion results partly from the mixing of chemical notation and nomenclature with those of statistics, applied mathematics and engineering. Additionally, in the absence of collaboration with mathematicians, chemists have, at times, misused data analysis methodology and even reinvented methods that have seen years of service in other fields. The Chemometrics Society has worked hard to solve this problem since it was founded in 1974 with the goal of improving communications between the chemical sciences and applied mathe matics and statistics. The NATO Advanced Study Institute on Chemometrics is evidence of this fact as it was initiated in response to a call from its membership for advanced training in several areas of chemometrics. This Institute focused on current theory and application in the new field of Chemometrics: Use of mathematical and statistical methods, Ca) to design or select optimal measurement procedures and experiments; and Cb) to provide maximum chemical information by analyzing chemical data. The Institute had two formal themes and two informal themes.
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Author: Gyorgy Pota

Publisher: Elsevier

ISBN: 0080464890

Category: Mathematics

Page: 258

View: 4836

Mathematical Problems for Chemistry Students has been compiled and written (a) to help chemistry students in their mathematical studies by providing them with mathematical problems really occurring in chemistry (b) to help practising chemists to activate their applied mathematical skills and (c) to introduce students and specialists of the chemistry-related fields (physicists, mathematicians, biologists, etc.) into the world of the chemical applications. Some problems of the collection are mathematical reformulations of those in the standard textbooks of chemistry, others were taken from theoretical chemistry journals. All major fields of chemistry are covered, and each problem is given a solution. This problem collection is intended for beginners and users at an intermediate level. It can be used as a companion to virtually all textbooks dealing with scientific and engineering mathematics or specifically mathematics for chemists. * Covers a wide range of applications of the most essential tools in applied mathematics * A new approach to a number of classical textbook-problems * A number of non-classical problems are included
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A Guide to Success in a Chemistry Career

Author: John Fetzer,John Charles Fetzer

Publisher: Springer Science & Business Media

ISBN: 9783540208990

Category: Science

Page: 266

View: 5418

John Fetzer’s "Career Management for Chemists" provides ample, common-sense guidance on the key topics such as: Resumés and CVs, Staying Driven & Current, Personal Skills & Traits Networking, Teamwork & Leadership, Speaking & Listening Writing Research Papers, Mentoring, Behavior & Rewards The practical coverage reflects not only his long professional experience but also his insight that, especially in today’s changing workplace, expectations and strategies for career management require constant re-evaluation. Provides real, common-sense, and proven means to enrich and make more rewarding a technical career. Pre-publication comments from colleagues - "Not only the student who is taking his first steps in the scientific world would profit abundantly by mining this book for views and ideas on the different sides of his chosen career. Also the seasoned scientist will be stimulated to scrutinize his own habits and pick up new thoughts, thereby becoming a more skilled instructor of his younger colleagues." J. Andersson, University of Münster, Germany "As one of the international collaborators of Dr. John Fetzer, I want to warmly congratulate him. His efforts nicely summarize very important topics for all who work in scientific activities. But, at the same time, Career Management for Chemists also provides some real insights for many people who are not working in science. This is a nice guidebook on how to enrich our lives and help us to become more successful!! K. Jinno, Toyohashi University of Technology
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Author: Jerry Dias

Publisher: Springer Science & Business Media

ISBN: 3642778941

Category: Mathematics

Page: 115

View: 1548

Professor John D. Roberts published a highly readable book on Molecular Orbital Calculations directed toward chemists in 1962. That timely book is the model for this book. The audience this book is directed toward are senior undergraduate and beginning graduate students as well as practicing bench chemists who have a desire to develop conceptual tools for understanding chemical phenomena. Although, ab initio and more advanced semi-empirical MO methods are regarded as being more reliable than HMO in an absolute sense, there is good evidence that HMO provides reliable relative answers particularly when comparing related molecular species. Thus, HMO can be used to rationalize electronic structure in 1t-systems, aromaticity, and the shape use HMO to gain insight of simple molecular orbitals. Experimentalists still into subtle electronic interactions for interpretation of UV and photoelectron spectra. Herein, it will be shown that one can use graph theory to streamline their HMO computational efforts and to arrive at answers quickly without the aid of a group theory or a computer program of which the experimentalist has no understanding. The merging of mathematical graph theory with chemical theory is the formalization of what most chemists do in a more or less intuitive mode. Chemists currently use graphical images to embody chemical information in compact form which can be transformed into algebraical sets. Chemical graph theory provides simple descriptive interpretations of complicated quantum mechanical calculations and is, thereby, in-itself-by-itself an important discipline of study.
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A Chemist and Laboratory Technician's Toolkit

Author: Bryan M. Ham,Aihui MaHam

Publisher: John Wiley & Sons

ISBN: 1118714849

Category: Science

Page: 680

View: 5741

A comprehensive study of analytical chemistry providing the basics of analytical chemistry and introductions to the laboratory Covers the basics of a chemistry lab including lab safety, glassware, and common instrumentation Covers fundamentals of analytical techniques such as wet chemistry, instrumental analyses, spectroscopy, chromatography, FTIR, NMR, XRF, XRD, HPLC, GC-MS, Capillary Electrophoresis, and proteomics Includes ChemTech an interactive program that contains lesson exercises, useful calculators and an interactive periodic table Details Laboratory Information Management System a program used to log in samples, input data, search samples, approve samples, and print reports and certificates of analysis
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Author: Committee on Mathematical Challenges from Computational Chemistry,Commission on Physical Sciences, Mathematics, and Applications,Division on Engineering and Physical Sciences,National Research Council

Publisher: National Academies Press

ISBN: 0309560640

Category: Mathematics

Page: 126

View: 8981

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.
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Author: N.A

Publisher: National Academies

ISBN: N.A

Category: Mathematics

Page: 131

View: 8291

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.
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Author: S. M. Blinder,J. E. House

Publisher: Elsevier

ISBN: 0128137010

Category: Science

Page: 423

View: 9581

Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. Brings together the most important aspects and recent advances in theoretical and computational chemistry Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry
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Author: Robert Fay

Publisher: N.A

ISBN: 9780130885227

Category: Chemistry

Page: 96

View: 1283

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Eine Einführung in die Gruppentheorie

Author: N.A

Publisher: Springer-Verlag

ISBN: 3663012077

Category: Technology & Engineering

Page: 393

View: 561

Es ist behauptet worden, Gruppentheorie sei kaum mehr als angewandter gesun der Menschenverstand. Wenn dem so ist, sollte es möglich sein, sie so darzustel len, daß der explizite Gebrauch von formaler Mathematik und vor allem von Matrizenalgebra vermieden wird. Matrizenalgebra ist kein schwieriges Thema; viele Studenten werden ihr vor dem Studium begegnet sein. Daher mag es sinnlos erscheinen, ein weiteres Buch zu schreiben, nur um die Verwendung von Matri zenalgebra zu umgehen. Dennoch ist dies ein solches Buch; der Grund für seine Existenz liegt tiefer. Nach meiner Erfahrung denken Chemiker lieber in Model len und Bildern als in mathematischen Begriffen; sie finden es leichter, ein Modell mathematisch zu beschreiben, als mit einer mathematischen Herleitung zu beginnen und daraus ein Bild zu gewinnen. Zum vollen Verständnis der Gruppentheorie benötigt man sowohl das Bild als auch die Mathematik; daher werden üblicherweise beide gemeinsam behandelt. Die Gruppentheorie ist al lerdings ein systematisch aufgebautes Gebiet - jede Stufe hängt von den vor hergehenden Stufen ab, so daß man sich in einem Lehrbuch ständig auf frühere Seiten beziehen muß. Da die mathematische Behandlung genauer und umfas sender ist als die bildhafte Beschreibung, wird dabei am ehesten auf vorausge gangene mathematische Abschnitte verwiesen. Nach meiner Erfahrung wird das physikalische Bild für die meisten Studenten zunehmend verschwommener, je mehr die Mathematik die Oberhand gewinnt. Dies ist der Grund für den Aufbau des vorliegenden Buchs.
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Author: Paul L. Houston

Publisher: Courier Corporation

ISBN: 0486131696

Category: Science

Page: 352

View: 4209

DIVThis text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. Solutions to selected problems. 2001 edition. /div
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