Computers and Their Applications to Chemistry: 1st Edition (Hardback) book cover

Computers and Their Applications to Chemistry

1st Edition

By Ramesh Kumari

Narosa

265 pages

Purchasing Options:$ = USD
Hardback: 9780849324208
pub: 2002-05-22
SAVE ~$10.79
Currently out of stock
$53.95
$43.16
x

FREE Standard Shipping!

Description

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

Subject Categories

BISAC Subject Codes/Headings:
SCI013050
SCIENCE / Chemistry / Physical & Theoretical