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Pcs For Chemists
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Download or read book PCs for Chemists written by J. Zupan and published by Elsevier. This book was released on 1990-02-01 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book first introduces the reader to the fundamentals of experimental design. Systems theory, response surface concepts, and basic statistics serve as a basis for the further development of matrix least squares and hypothesis testing. The effects of different experimental designs and different models on the variance-covariance matrix and on the analysis of variance (ANOVA) are extensively discussed. Applications and advanced topics (such as confidence bands, rotatability, and confounding) complete the text. Numerous worked examples are presented. The clear and practical approach adopted by the authors makes the book applicable to a wide audience. It will appeal particularly to those with a practical need (scientists, engineers, managers, research workers) who have completed their formal education but who still need to know efficient ways of carrying out experiments. It will also be an ideal text for advanced undergraduate and graduate students following courses in chemometrics, data acquisition and treatment, and design of experiments.
Book Synopsis Chemistry by Computer by : Stephen Wilson
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.
Book Synopsis Computational Chemistry Using the PC by : Donald W. Rogers
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.
Book Synopsis Computers for Chemists by : Sudhir Pundir, Dr
Download or read book Computers for Chemists written by Sudhir Pundir, Dr and published by . This book was released on 2010 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computers and Their Applications to Chemistry by : Ramesh Kumari
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.
Book Synopsis Computer Education of Chemists by : American Chemical Society. Meeting
Download or read book Computer Education of Chemists written by American Chemical Society. Meeting and published by Wiley-Interscience. This book was released on 1984 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computers in Analytical Chemistry by : Charles H. Orr
Download or read book Computers in Analytical Chemistry written by Charles H. Orr and published by Springer. This book was released on 2012-05-26 with total page 106 pages. Available in PDF, EPUB and Kindle. Book excerpt: The analytical chemist is in the forefront of the race to use computers in laboratory work. The modern laboratory has a large number of instruments churning out information, and mechanized procedures for handling the huge amount of data are imperative. The marriage of instruments and computers is offered as a way of easing the burden on the scientist, as well as optimiz ing the performance of the analytical instruments. Computer systems can be applied to all the major analytical instrument procedures, and many of the leading instrument manufacturers are developing and producing systems for use in the laboratory, both for data acquisition and for control purposes. It is, therefore, timely that the session on computers in analytical chem istry of the Eastern Analytical Symposium, held in November 1968, be published in this series, which has as its aim progress in analytical chemistry. The contents are wide-ranging and include applications to mass spectrometry, X-ray spectrography, nuclear magnetic resonance spectroscopy, gas chroma tography, infrared spectrography, the use of dedicated computers, and the multiple user laboratory. Thanks are due to the authors of the papers and to the session chairmen for their efforts in the production of this very worthwhile addition to the series.
Book Synopsis Computer Based Projects for a Chemistry Curriculum by : Thomas J. Manning
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.
Book Synopsis Computer Software Applications in Chemistry by : Peter C. Jurs
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.
Book Synopsis The Laboratory Computer Coursebook and Chemists' Catalog of Suppliers and Resources by :
Download or read book The Laboratory Computer Coursebook and Chemists' Catalog of Suppliers and Resources written by and published by . This book was released on 1981 with total page 114 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Personal Computers in Chemistry by : Peter Lykos
Download or read book Personal Computers in Chemistry written by Peter Lykos and published by John Wiley & Sons. This book was released on 1981 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computers in Chemistry by : K. V. Raman
Download or read book Computers in Chemistry written by K. V. Raman and published by Tata McGraw-Hill Education. This book was released on 1993 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book describes the fundamentals of computers to enable students to develop and write simple programs related to chemistry. Written with an aim to fill the void existing at graduate level, the attempt here has been to trigger the interest of the students in the direction of the growing application potential of computers in the field of chemistry. The language discussed are BASIC, FORTRAN and C. Beginning first with the principles of a language, the book describes control statements and gives a brief introduction to arrays, functions, sub-routines and sequential files.
Book Synopsis Computer education of chemists by : Peter Lykos
Download or read book Computer education of chemists written by Peter Lykos and published by . This book was released on 1984 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Basic Category Theory for Computer Scientists by : Benjamin C. Pierce
Download or read book Basic Category Theory for Computer Scientists written by Benjamin C. Pierce and published by MIT Press. This book was released on 1991-08-07 with total page 117 pages. Available in PDF, EPUB and Kindle. Book excerpt: Basic Category Theory for Computer Scientists provides a straightforward presentation of the basic constructions and terminology of category theory, including limits, functors, natural transformations, adjoints, and cartesian closed categories. Category theory is a branch of pure mathematics that is becoming an increasingly important tool in theoretical computer science, especially in programming language semantics, domain theory, and concurrency, where it is already a standard language of discourse. Assuming a minimum of mathematical preparation, Basic Category Theory for Computer Scientists provides a straightforward presentation of the basic constructions and terminology of category theory, including limits, functors, natural transformations, adjoints, and cartesian closed categories. Four case studies illustrate applications of category theory to programming language design, semantics, and the solution of recursive domain equations. A brief literature survey offers suggestions for further study in more advanced texts. Contents Tutorial • Applications • Further Reading
Book Synopsis Computational Chemistry Using the PC by : Donald Rogers
Download or read book Computational Chemistry Using the PC written by Donald Rogers and published by VCH Publishers. This book was released on 1994 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to computational chemistry, molecular orbital calculations and molecular mechanics. This second edition takes in recent developments in hardware and software. The book includes a disk with about 50 complete projects and selected output files suitable for self-study.
Book Synopsis Software Development in Chemistry 5 by : Jürgen Gmehling
Download or read book Software Development in Chemistry 5 written by Jürgen Gmehling and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organized by the working group
Book Synopsis Computer Chemistry by : Mario Marsili
Download or read book Computer Chemistry written by Mario Marsili and published by CRC Press. This book was released on 2017-07-28 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer Chemistry illustrates the methods and philosophies of how a computer can be instructed to "understand" chemical facts, formulas and rules. It focuses on discussions of all of the major sections in both theoretical framework and practical application through examples. It includes the Synthesis Design Systems for the simulation of chemical reactions, the Structure Elucidation Systems for the interpretation of spectral data, the Molecular Modelling Systems for the visualization of chemical structures and the calculation of physico-chemical parameters.
