Maths for Chemistry

A Chemist's Toolkit of Calculations
Author: Paul Monk,Lindsey J. Munro
Publisher: Oxford University Press
ISBN: 0199541299
Category: Mathematics
Page: 542
View: 7020

Continue Reading →

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.

Maths for Chemists: Numbers, functions and calculus


Author: Martin Cockett,Graham Doggett
Publisher: Royal Society of Chemistry
ISBN: 9780854046775
Category: Education
Page: 189
View: 2873

Continue Reading →

An excellent resource for students who need support and understanding in working with the diverse mathematical tools required in a typical chemistry degree course.

Maths for Chemists


Author: Martin Cockett,Graham Doggett
Publisher: Royal Society of Chemistry
ISBN: 1849733597
Category: Education
Page: 389
View: 8379

Continue Reading →

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.

Organische Chemie für Dummies


Author: Arthur Winter
Publisher: John Wiley & Sons
ISBN: 3527822402
Category: Science
Page: 370
View: 7593

Continue Reading →

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.

Excel for Chemists

A Comprehensive Guide
Author: E. Joseph Billo
Publisher: John Wiley & Sons
ISBN: 047146080X
Category: Science
Page: 483
View: 5023

Continue Reading →

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.

Chemical and Biomedical Engineering Calculations Using Python


Author: Jeffrey J. Heys
Publisher: John Wiley & Sons
ISBN: 1119267064
Category: Science
Page: 288
View: 4778

Continue Reading →

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

Mathematical Problems for Chemistry Students


Author: Gyorgy Pota
Publisher: Elsevier
ISBN: 0080464890
Category: Mathematics
Page: 258
View: 9508

Continue Reading →

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

Molecular Orbital Calculations Using Chemical Graph Theory


Author: Jerry Dias
Publisher: Springer Science & Business Media
ISBN: 3642778941
Category: Mathematics
Page: 115
View: 4589

Continue Reading →

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.

Career Management for Chemists

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: 9494

Continue Reading →

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

Analytical Chemistry

A Chemist and Laboratory Technician's Toolkit
Author: Bryan M. Ham,Aihui MaHam
Publisher: John Wiley & Sons
ISBN: 1118714849
Category: Science
Page: 680
View: 6057

Continue Reading →

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

Mathematical Challenges from Theoretical/Computational Chemistry


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: 1175

Continue Reading →

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.

Mathematical Challenges from Theoretical/Computational Chemistry


Author: N.A
Publisher: National Academies
ISBN: N.A
Category: Mathematics
Page: 131
View: 3723

Continue Reading →

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.

Mathematical Physics in Theoretical Chemistry


Author: S. M. Blinder,J. E. House
Publisher: Elsevier
ISBN: 0128137010
Category: Science
Page: 423
View: 1882

Continue Reading →

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

Chemical Kinetics and Reaction Dynamics


Author: Paul L. Houston
Publisher: Courier Corporation
ISBN: 0486131696
Category: Science
Page: 352
View: 4688

Continue Reading →

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

Symmetrie und Struktur

Eine Einführung in die Gruppentheorie
Author: N.A
Publisher: Springer-Verlag
ISBN: 3663012077
Category: Technology & Engineering
Page: 393
View: 7700

Continue Reading →

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.

Electronic, Atomic and Molecular Calculations

Applying the Generator Coordinate Method
Author: Milan Trsic,Alberico da Silva
Publisher: Elsevier
ISBN: 9780080547084
Category: Science
Page: 320
View: 705

Continue Reading →

The Generator Coordinate Method (GCM) is a mathematical tool for the understanding of stable atomic nuclei. Electronic, Atomic and Molecular Calculations is designed to assist scientists applying GCM in the analysis of the electronic structure of atoms and molecules. There have been numerous publications covering nuclear physics and electronic structure of atoms and molecules, but this book is unique in the sense that it specifically addresses the application of GCM for such purposes. Using this book, researchers will be able to understand and calculate the electronic structure in a novel manner. * Only book that covers the Generator Coordinate Method and applications for atoms, molecules and nuclei * Clearly describes how the GCM can be used as a powerful tool for design of atomic basis sets * Reviews current literature on GCM in atomic and molecular fields and a large part of the literature of the method in nuclear physics