Computers And Their Applications To Chemistry PDF Download
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| Author | : Ramesh Kumari |
| Publisher | : Alpha Science Int'l Ltd. |
| Total Pages | : 360 |
| Release | : 2005 |
| Genre | : Computers |
| ISBN | : 9781842652589 |
Download Computers and Their Applications to Chemistry Book in PDF, ePub and Kindle
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.
| Author | : Stephen Wilson |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 233 |
| Release | : 2012-12-06 |
| Genre | : Science |
| ISBN | : 1461321379 |
Download Chemistry by Computer Book in PDF, ePub and Kindle
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.
| Author | : Peter C. Jurs |
| Publisher | : John Wiley & Sons |
| Total Pages | : 306 |
| Release | : 1996-02-02 |
| Genre | : Science |
| ISBN | : 9780471105879 |
Download Computer Software Applications in Chemistry Book in PDF, ePub and Kindle
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.
| Author | : Theresa Julia Zielinski |
| Publisher | : |
| Total Pages | : 408 |
| Release | : 1997 |
| Genre | : Education |
| ISBN | : |
Download Using Computers in Chemistry and Chemical Education Book in PDF, ePub and Kindle
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.
| Author | : Kishor Arora |
| Publisher | : |
| Total Pages | : 320 |
| Release | : 2004-01-01 |
| Genre | : |
| ISBN | : 9788126119165 |
Download Computer Applications In Chemistry Book in PDF, ePub and Kindle
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.
| Author | : Hussein K. Abdel-Aal |
| Publisher | : CRC Press |
| Total Pages | : 287 |
| Release | : 2016-10-14 |
| Genre | : Science |
| ISBN | : 1498730582 |
Download Chemical Engineering Primer with Computer Applications Book in PDF, ePub and Kindle
Taking a highly pragmatic approach to presenting the principles and applications of chemical engineering, this companion text for students and working professionals offers an easily accessible guide to solving problems using computers. The primer covers the core concepts of chemical engineering, from conservation laws all the way up to chemical kinetics, without heavy stress on theory and is designed to accompany traditional larger core texts. The book presents the basic principles and techniques of chemical engineering processes and helps readers identify typical problems and how to solve them. Focus is on the use of systematic algorithms that employ numerical methods to solve different chemical engineering problems by describing and transforming the information. Problems are assigned for each chapter, ranging from simple to difficult, allowing readers to gradually build their skills and tackle a broad range of problems. MATLAB and Excel® are used to solve many examples and the more than 70 real examples throughout the book include computer or hand solutions, or in many cases both. The book also includes a variety of case studies to illustrate the concepts and a downloadable file containing fully worked solutions to the book’s problems on the publisher’s website. Introduces the reader to chemical engineering computation without the distractions caused by the contents found in many texts. Provides the principles underlying all of the major processes a chemical engineer may encounter as well as offers insight into their analysis, which is essential for design calculations. Shows how to solve chemical engineering problems using computers that require numerical methods using standard algorithms, such as MATLAB® and Excel®. Contains selective solved examples of many problems within the chemical process industry to demonstrate how to solve them using the techniques presented in the text. Includes a variety of case studies to illustrate the concepts and a downloadable file containing fully worked solutions to problems on the publisher’s website. Offers non-chemical engineers who are expected to work with chemical engineers on projects, scale-ups and process evaluations a solid understanding of basic concepts of chemical engineering analysis, design, and calculations.
| Author | : Donald W. Rogers |
| Publisher | : John Wiley & Sons |
| Total Pages | : 371 |
| Release | : 2003-10-21 |
| Genre | : Science |
| ISBN | : 0471474916 |
Download Computational Chemistry Using the PC Book in PDF, ePub and Kindle
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.
| Author | : Klaus Ebert |
| Publisher | : John Wiley & Sons |
| Total Pages | : 736 |
| Release | : 1989 |
| Genre | : Science |
| ISBN | : |
Download Computer Applications in Chemistry Book in PDF, ePub and Kindle
This versatile introduction to the application of (personal) computers in chemical research activities can be used as a textbook practical manual reference book study guide for independent learning Mathematical solutions and sample programs are presented for a large number of common chemical and physical problems. Computer graphics, the use of PCs in modelling and simulation studies, and data processing are also treated. Although its approach is initially elementary, the book covers most of the mathematical methods needed in research. Practical examples from chemistry, chemical engineering, biology, and pharmacy illustrate these methods. Chemists will find in this comprehensive introduction all the knowledge they need to modify existing programs or to develop new ones to meet their needs. Special feature: Enclosed are two diskettes (in ASCII code) which contain all the programs given in the book in both BASIC and PASCAL. The diskettes are suitable for all IBM-compatible PCs.
| Author | : National Research Council |
| Publisher | : National Academies Press |
| Total Pages | : 235 |
| Release | : 1999-08-31 |
| Genre | : Mathematics |
| ISBN | : 0309184029 |
Download Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology Book in PDF, ePub and Kindle
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.
| Author | : R. Paul Singh |
| Publisher | : Elsevier |
| Total Pages | : 300 |
| Release | : 1996-08-12 |
| Genre | : Technology & Engineering |
| ISBN | : 9780080529714 |
Download Computer Applications in Food Technology Book in PDF, ePub and Kindle
The Institute of Food Technologists (IFT) recently endorsed the use of computers in food science education. The minimum standards for degrees in food science, as suggested by IFT,"require the students to use computers in the solution of problems, the collection and analysis of data, the control processes, in addition to word processing."Because they are widely used in business, allow statistical and graphical of experimental data, and can mimic laboratory experimentation, spreadsheets provide an ideal tool for learning the important features of computers and programming. In addition, they are ideally suited for food science students, who usually do not have an extensive mathematical background. Drawing from the many courses he has taught at UC Davis, Dr. Singh covers the general basics of spreadsheets using examples specific to food science. He includes more than 50 solved problems drawn from key areas of food science, namely food microbiology, food chemistry, sensory evaluation, statistical quality control, and food engineering. Each problem is presented with the required equations and detailed steps necessary for programming the spreadsheet. Helpful hints in using the spreadsheets are also provided throughout the text. Key Features * The first book to integrate speadsheets in teaching food science and technology * Includes more than 50 solved examples of spreadsheet use in food science and engineering * Presents a step-by-step introduction to spreadsheet use * Provides a food composition database on a computer disk
