Computerized Visual Aids in Introductory MO Theory

keyboardllineprinter and plotter); execution requires 4K (HP9830A 4K, 8-bit wards); plotting output; instruction manual for operation of program with ...
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Computerized Visual Aids in Introductory MO Theory A computer program' in Basic has been developed to facilitate student use of Hiickel MO %*%l'YRENE%*% theory. Indeed, programs have already been developed to do Hiiekel and even various ab initio calculations but these are usually for use on Fortran batch systems where turnaround is obviously orohibitive for indeoendent or even class studv of Huckel MO theow. This DrOmaIn was develo~ed for use on the ~ e w l e t t - ~ a c k a r9830A d programmable d e s k t o ~ e a l c u l ~ t ointerfaced ; with a Hewlett-Packard plotter. Due to memory size, 4K double precision, the program has been broken into ten separate programs or files stored on a cassette. Once the program has been initiated, the files are automatically loaded and executed and variable assignments are retained from program to program by means of a COM (COMMON) statement. Streitwieser's parameters2 have been inmrpwatcd inti, tlw program ,o that ralculnt~cmsrerent.,tic,n