Computer for Chemists

Basic structure and functioning of computers PC as an illustrative example; memory – RAM, ROM, IROM, EPROM, EEPROM, I/O devices – keyboard, mouse, printer, scanner, joystick, lightpen, digitizer, secondary storage-floppy disk, compact disk, DVD, computer languages (generation of languages) differences between different types OS, internet surfing through search engines.

Word Processor: Formatting, Spell and rammer check,tables.

MS Excel: Functions, charts, Autofill, Autosum, OLE.

Presentation software: Creating a master slide, inserting images, running a slide show.

Principles of programming, algorithms and flow charts, elements of the computer language, constants and variables, operations and symbols, expressions, arithmetic assignment statement, input and output format statement, termination statements.

Advanced Programming in C

Branching statements such as IF or GO TO statement, logical variables, double precision variables, subscripted variables and dimensions, loops[while, for, do-while].

Development of small computer codes involving simple formulae in chemistry, such as van der Waals equation, pH titration, kinetics, radioactive decay; evaluation of lattice energy and ionic radii from experimental data.

C language to calculate the molecular weights of oganic compounds, determination of percentages of element in an organic compound, determination of molecular weights of organic compounds by experimental methods, to calculate wavelength for conjugated dienes and enones.