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It's not just test tubes and Bunsen burners anymore. Computers now rank at or near the top of the list of a chemist's most indispensable tools, and it's safe to say that no chemistry student will get very far without a good working knowledge of computers and the concepts of computer programming.
Designed specifically to ensure undergraduate chemistry students have this basic proficiency, Computers and Their Applications to Chemistry introduces the fundamentals of computers, then builds a solid foundation in programming using the BASIC programming language and simple examples from chemistry. The author's straightforward approach moves smoothly from simple to complex ideas, from elementary input/output statements through data string manipulation and searching methods to graphics and numerical methods. The last two chapters discuss a variety of available software packages particularly useful in chemistry.
Each chapter includes a number of solved examples followed by a set of review questions that reinforce and stimulate interest in the ideas presented.
Table of Contents
FUNDAMENTALS OF COMPUTERS What is a Computer? Computer Versus Calculator Advantages and Disadvantages of Computers Computer System Organization History of Computers Computer Generation Classification of Computers WINDOWS Computer Viruses Program Debugging or Error Finding PROBLEM SOLVING ON COMPUTERS Algorithm Flow Charts Program Execution ELEMENTS OF BASIC LANGUAGE BASIC Language Constants and Variables Single and Double Precision Form of Real Constants INPUT/OUTPUT AND ASSIGNMENT STATEMENTS REM Statement LET Statement INPUT Statement READ……DATA Statement RESTORE Statement PRINT Statement Print Control The Semicolon control The TAB Function The STOP and END Statements TRANSFER AND CONTROL STATEMENTS JUMPING Statement IF……THEN Statement IF…..THEN……ELSE Statements Finding HCF and LCM of Two Given Numbers Finding the Roots of a Quadratic Equation of the Type ax2 + bx + c = 0 Calculation for he pH of a Solution of 10-7 mol dm-3 HCl Multiple Branching-The ON…..GO TO Statement LOOPING Statements FOR…..NEXT Statement ARRAYS AND SUBSCRIPTED VARIABLES One Dimensional Array Two Dimensional Array DIM Statement Matrix Algebra FUNCTIONS AND SUBROUTINES DEF FN Statement Subroutines STRING DATA MANIPULATION String Functions Searching and Sorting COMPUTER GRAPHICS Ghraphic Types SCREEN Displaying a Point Drawing of Line Drawing Box Drawing of Circle Drawing of Ellipse Drawing Non-Geometric Shapes with DRAW Statement WINDOW Statement VIEW Statement PAINT Statement NUMERICAL METHODS Bisection Method Numerical Integration Trapezoidal Rule Simpson's 1/3rd Rule Curve Fitting Straight Line Fitting Matrix Inversion The Gauss Elimination Method COMPUTER SOFTWARE IN CHEMISTRY Chemical Inventory System Material Safety Data sheets on CD ROM Fast Search Electronic Handbooks Periodic Table Database Nutrichem Lab Database Tapp-Thermochemical and Physical Properties Chemical Structure and Information Database Database of Physical Properties Environmental Chemistry Fast Searchä Physical Properties! Proä Molecular Modeling Proä Chem Office Chemdraw Chemistry 4-D Draw Standard Scientist for Windows FIT-Regression Analysis Information Storage and Retrieval Modeling, Simulation, and Optimization COMPUTER SOFTWARE IN CHEMISTRY: INSTRUMENT CONTROL Instrument Maintenance and Calibration system GC-SOS HPLC Optimization HPLC Calculations Assistant and Reference Tools CESAR Capillary Electrophoresis Simulation for Applications in Research Notes in Mathematics series Spectroscopic Library Searching and Structure Elucidation Mass Spectrometry Infrared Spectra NMR Graphical Display of Data and Molecular Structures Mass Spec Calculator Elemental Formula Calculator Isotopic Profiler Expert Laboratory Solutionsä Haackercalc Elemental Composition Calculator Molecular Weight Calculator by Chemsoft, Inc. Radioactive Decay Calculator Standard Operating Procedures Generator HSC Chemistry Internet APPENDICES GWBASIC/BASICA Q BASIC Editor and Menus RANGE of Characters Used in QBASIC BASIC Error Messages ASCI Character Codes GLOSSARY BIBLIOGRAPHY INDEX
Each chapter also includes an Introduction and Review Questions
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CHOICE – Outstanding Academic Title – Award Winner
CHOICE – 2018 Outstanding Academic Title – Award Winner
Shingo Research and Professional Publication Award Winner
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