Download or read book Computers and Their Applications to Chemistry written by Ramesh Kumari and published by Alpha Science Int'l Ltd.. This book was released on 2005 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduces the fundamentals of BASIC, FORTRAN and C++ language using the concepts of Chemistry. This book includes an account of various statements input/output, format, control (if - then - else, go to, do loops and more has been illustrated by various examples.
Download or read book Using Computers in Chemistry and Chemical Education written by Theresa Julia Zielinski and published by . This book was released on 1997 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on how computers are used in research and industry, this timely volume provides a practical curriculum for using computers in training chemists and other professionals. It spans the full range of applications, from spreadsheets to specialized software for ab initio calculations. With contributions from experts in a variety of fields, the book will be invaluable for anyone developing a college-level course in chemistry.
Download or read book Computational Chemistry Using the PC written by Donald W. Rogers and published by John Wiley & Sons. This book was released on 2003-10-21 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Chemistry Using the PC, Third Edition takes the reader from a basic mathematical foundation to beginning research-level calculations, avoiding expensive or elaborate software in favor of PC applications. Geared towards an advanced undergraduate or introductory graduate course, this Third Edition has revised and expanded coverage of molecular mechanics, molecular orbital theory, molecular quantum chemistry, and semi-empirical and ab initio molecular orbital approaches. With significant changes made to adjust for improved technology and increased computer literacy, Computational Chemistry Using the PC, Third Edition gives its readers the tools they need to translate theoretical principles into real computational problems, then proceed to a computed solution. Students of computational chemistry, as well as professionals interested in updating their skills in this fast-moving field, will find this book to be an invaluable resource.
Download or read book Chemistry by Computer written by Stephen Wilson and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computers have been applied to problems in chemistry and the chemical sciences since the dawn of the computer age; however, it is only in the past ten or fifteen years that we have seen the emergence of computational chemistry as a field of research in its own right. Its practitioners, computational chemists, are neither chemists who dabble in computing nor programmers who have an interest in chemistry, but computa tional scientists whose aim is to solve a wide range of chemical problems using modern computing machines. This book gives a broad overview of the methods and techniques employed by the computational chemist and of the wide range of problems to which he is applying them. It is divided into three parts. The first part records the basics of chemistry and of computational science that are essential to an understanding of the methods of computational chemistry. These methods are described in the second part of the book. In the third part, a survey is given of some areas in which the techniques of computational chemistry are being applied. As a result of the limited space available in a single volume, the areas covered are necessarily selective. Nevertheless, a sufficiently wide range of applications are described to provide the reader with a balanced overview of the many problems being attacked by computational studies in chemistry.
Download or read book Computer Software Applications in Chemistry written by Peter C. Jurs and published by John Wiley & Sons. This book was released on 1996-02-02 with total page 306 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intended specifically for practicing professionals and advanced students in chemistry and biochemistry, this invaluable book covers the full range of the computer applications in these fields, including numerical, nonnumerical, and graphics applications. New material includes multiple linear regression using MREG, principal-components analysis, Monte Carlo integration, parameterization of the force field, and molecular modeling software. Major areas covered include: * Error, Statistics, and the Floating-Point Number System * Curve Fitting * Multiple Linear Regression Analysis * Numerical Integration * Numerical Solution of Differential Equations * Matrix Methods and Linear Equation Systems * Random Numbers and Monte Carlo Simulation * Simplex Optimization * Chemical Structure Information Handling * Mathematical Graph Theory * Substructure Searching * Molecular Mechanics and Molecular Dynamics * Pattern Recognition * Artificial Intelligence and Expert Systems * Spectroscopic Library Searching and Structure Elucidation * Graphical Display of Data and of Molecules Whatever your area of research, this comprehensive, lucidly written book offers an indispensable resource of computer applications that will facilitate your work.
Download or read book Computer Based Projects for a Chemistry Curriculum written by Thomas J. Manning and published by Bentham Science Publishers. This book was released on 2013-04-04 with total page 243 pages. Available in PDF, EPUB and Kindle. Book excerpt: This e-book is a collection of exercises designed for students studying chemistry courses at a high school or undergraduate level. The e-book contains 24 chapters each containing various activities employing applications such as MS excel (spreadsheets) and Spartan (computational modeling). Each project is explained in a simple, easy-to-understand manner. The content within this book is suitable as a guide for both teachers and students and each chapter is supplemented with practice guidelines and exercises. Computer Based Projects for a Chemistry Curriculum therefore serves to bring computer based learning – a much needed addition in line with modern educational trends – to the chemistry classroom.
Download or read book Knowledge based Expert Systems in Chemistry written by Philip Judson and published by Royal Society of Chemistry. This book was released on 2009 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is about the development of knowledge-based, and related, expert systems in chemistry and toxicology. It shows how computers can work with qualitative information where precise numerical methods are not satisfactory.
Download or read book Teaching Programming Across the Chemistry Curriculum written by Ashley Ringer McDonald and published by ACS Symposium. This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Sponsored by the ACS Division of Chemical Education."
Download or read book Computational Chemistry written by David Young and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics incomputational chemistry. Focuses on when and how to apply different computationaltechniques. Addresses computational chemistry connections to biochemicalsystems and polymers. Provides a prioritized list of methods for attacking difficultcomputational chemistry problems, and compares advantages anddisadvantages of various approximation techniques. Describes how the choice of methods of software affectsrequirements for computer memory and processing time.
Download or read book Computer Applications In Chemistry written by Kishor Arora and published by . This book was released on 2004-01-01 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications Of Computer In Chemistry Are Now A Part Of Curriculum In B.Sc. And M.Sc. Classes Of Most Of The Universities. This Portion Has Been Introduced By U.G.C. In The Model Course Curriculum As Well. The Present Book Focuses On The Use Of This Electronic Machine In Dealing With The Problems Of Chemistry. Main Attention Has Been Focused On Development Of Programming Logic And Technique Particularly Dealing With The Problems Of Chemistry Which Should Be The Most Important Part Before Actually Writing Any Computer Program. Fundamentals Of Three Languages Viz. Basic, Fortran And C-Language, Have Been Included In This Book. Most Of The Programs In This Book Are Given In Basic Language As It Is Easy To Learn And Interactive Too. Ample Programs Are Also Given In Fortran And C-Language. It Is Has Been Tried To Include All The Programs In This Book With Their Outputs. Hope This Book Will Serve The Purpose And Will Prove To Be Useful For The Students Pursuing Studies In Chemistry At B.Sc. Or M.Sc. Level.ContentsIntroduction To Computers; Fundamental Concepts Of Programming; Ms-Dos And Its Use; Fundamentals Of Basic Programming; Fundamentals Of Fortran Programming; Fundamentals Of C-Language; Some Useful Programs In Chemistry; Etc.
Download or read book Argumentation in Chemistry Education written by Sibel Erduran and published by Royal Society of Chemistry. This book was released on 2022-06-29 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt: Scientists use arguments to relate the evidence that they select from their investigations and to justify the claims that they make about their observations. This book brings together leading researchers to draw attention to research, policy and practice around the inclusion of argumentation in chemistry education.
Download or read book Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology written by National Research Council and published by National Academies Press. This book was released on 1999-08-31 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengthen the chemical sciences by foster communication among all the important stakeholders. At a recent Roundtable meeting, information technology was identified as an issue of increasing importance to all sectors of the chemical enterprise. This book is the result of a workshop convened to explore this topic.
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Download or read book Essentials of Computational Chemistry written by Christopher J. Cramer and published by John Wiley & Sons. This book was released on 2013-04-29 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.
Download or read book Computers in Chemistry written by Pete Biggs and published by . This book was released on 1999 with total page 108 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computers have become an integral part of chemistry. Virtually all modern scientific instrumentation contains some form of computer and, indeed, the operation of many instruments has become so complex that it is impossible without some degree of computer control. It is vital for the modern student of chemistry to have at least a basic knowledge of computers, and the deeper that knowledge is, the better use will be made of the techniques available. Computers in Chemistry provides an excellent overview of computers and their use in chemistry, giving the student an insight into both the workings of a computer and the ways in which computer facilities can be effectively applied in the study of chemistry today. Topics covered include programming hardware, laboratory software, interfacing computers with experiments and presenting computed information.
Download or read book Mathematical Challenges from Theoretical Computational Chemistry written by National Research Council and published by National Academies Press. This book was released on 1995-03-29 with total page 143 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book The Computer and Chemistry written by Thomas R. Dickson and published by . This book was released on 1968 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt:
