Download or read book Introduction to Computer Programming for Chemists written by Thomas L. Isenhour and published by . This book was released on 1979 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 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 Computer Programming for Chemists written by Kenneth B. Wiberg and published by . This book was released on 1965 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Introduction to Computer Programming for Chemists BASIC Version written by and published by . This book was released on 1974 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Introduction to Computer Programming for Chemists BASIC Version written by Charles Lee Wilkins and published by . This book was released on 1975 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Introduction to Computer Programming for Chemists written by Isenhour and published by . This book was released on 1985-03-01 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Protein Modelling written by Andrew Gamble and published by Springer. This book was released on 2014-11-13 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this volume, a detailed description of cutting-edge computational methods applied to protein modeling as well as specific applications are presented. Chapters include: the application of Car-Parrinello techniques to enzyme mechanisms, the outline and application of QM/MM methods, polarizable force fields, recent methods of ligand docking, molecular dynamics related to NMR spectroscopy, computer optimization of absorption, distribution, metabolism and excretion extended by toxicity for drugs, enzyme design and bioinformatics applied to protein structure prediction. A keen emphasis is laid on the clear presentation of complex concepts, since the book is primarily aimed at Ph.D. students, who need an insight in up-to-date protein modeling. The inclusion of descriptive, color figures will allow the reader to get a pictorial representation of complicated structural issues.
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 Computer Programs for Chemistry written by DeLos DeTar and published by Elsevier. This book was released on 2012-12-02 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer Programs for Chemistry, Volume 4, aims to make available a useful collection of tested programs, which may be expected to have a long useful life. Since the programs in each volume are represented by considerably over 10,000 source cards, arrangements have been made to provide a master tape for each volume. The programs in the series fall into two broad classes: complete packages and subroutines. ANSI FORTRAN has been chosen as the language since it provides adequate flexibility and excellent compatibility. But where departures are needed for efficiency, the editors have not hesitated to allow use of small subroutines in nonstandard FORTRAN or in assembly language, with careful documentation. The programs discussed in this volume include LSKIN2, FRS3, GENLSS, CDORD, EQCENT, EDITQ and EDITID, LORAK, and INDEX. Anyone who intends to use computer techniques will have to learn about computer hardware and computer software. To use effectively even the stand-alone programs in these volumes requires some understanding of FORTRAN. This volume also contains a number of converting subroutines that are useful primarily to the serious programmer. These have proved especially useful as parts of programs presented in previous volumes.
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 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 Introduction to Computer Programming for Chemists written by Thomas L. Isenhour and published by . This book was released on 1974 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Java Swing written by Marc Loy and published by "O'Reilly Media, Inc.". This book was released on 2002-11-20 with total page 1278 pages. Available in PDF, EPUB and Kindle. Book excerpt: Swing is a fully-featured user interface development kit for Java applications. Building on the foundations of the Abstract Window Toolkit (AWT), Swing enables cross-platform applications to use any of several pluggable look-and-feels. Swing developers can take advantage of its rich, flexible features and modular components, building elegant user interfaces with very little code. This second edition of Java Swing thoroughly covers all the features available in Java 2 SDK 1.3 and 1.4. More than simply a reference, this new edition takes a practical approach. It is a book by developers for developers, with hundreds of useful examples, from beginning level to advanced, covering every component available in Swing. All these features mean that there's a lot to learn. Even setting aside its platform flexibility, Swing compares favorably with any widely available user interface toolkit--it has great depth. Swing makes it easy to do simple things but is powerful enough to create complex, intricate interfaces. Java Swing, 2nd edition includes : A new chapter on Drag and Drop Accessibility features for creating a user interface meeting the needs of all users Coverage of the improved key binding infrastructure introduced in SDK 1.3 A new chapter on JFormattedTextField and input validation Mac OS X coverage and examples Coverage of the improved focus system introduced in SDK 1.4 Pluggable Look-and-Feel coverage Coverage of the new layout manager, SpringLayout, from SDK 1.4 Properties tables that summarize important features of each component Coverage of the 1.4 Spinner component Details about using HTML in components A new appendix listing bound actions for each component A supporting web site with utilities, examples, and supplemental materials Whether you're a seasoned Java developer or just trying to find out what Java can do, you'll find Java Swing, 2nd edition an indispensable guide.
Download or read book An Introduction to Python Programming for Scientists and Engineers written by Johnny Wei-Bing Lin and published by Cambridge University Press. This book was released on 2022-07-07 with total page 767 pages. Available in PDF, EPUB and Kindle. Book excerpt: Textbook that uses examples and Jupyter notebooks from across the sciences and engineering to teach Python programming.
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:
