Use of Java']JavaScript in simple quantum-chemical applications

The JavaScript scripting language is a simple way of adding interactive functionality to HTML (Hypertext Mark-up Language) pages. In this paper we present the use of JavaScript in two sample quantum-chemical applications, destined primarily for educational purposes. Examples are given in which students are able to enter data and invoke calculations using JavaScript scripts via forms-based interfaces, and follow links to outlines of the theory involved, key equations, and to other pages on the World Wide Web. The performance and potential of interactive scripts in these and wider quantum-chemical applications is discussed. (C) 1997 Elsevier Science B.V.