Software to be used for the study of Molecular Structure in the Undergraduate Courses was developed. The software consists of four parts : (1) to design molecular structure on the display, (2) to obtain the dipole moments of the molecules for the structures designed in the (1), (3) to calculate the patterns of the Rotational Spectrum of the molecules, (4) to store such molecular forms in the data banks of the disk.
The importance of chemical experiments and hands-on experience in the study of chemistry is underlined. It is through learning by doing that most students gain experience in this area as elsewhere. However, time does not always permit sufficient laboratory work. Limited financial resources may also restrict access to practical experiments, such as instrumental analysis. Microcomputer-aided programs can offer a solution to this problem. Our chemical education software was previously developed for the purpose of arrangement and reconfirmation of chemistry knowledge. However, a main target in this paper is also the acquiring of a new knowledge by learners. This paper describes the educational effect of the microcomputer-aided lecture on the teaching and/or learning of chemistry. The results of this type of lecture concerning instrumental analysis are satisfactory from an educational point of view.
We have examined the differences of computational errors and abilities of UBASIC, N88BASIC and FORTRAN's curve-fitting programs by calculating the least squares method. As a result, the maximum orders of polynomials possible for N88BASIC and MS-FORTRAN was 11th, and for Sun-FORTRAN was 23rd. UBASIC could calculate up to 50th. Calculation of FORTRAN programs made clear to be meaning-less in the higher order of polynomials, because of precisional errors.
An efficient program "Chroplot" was developed for analyzing the chromatographic data. With this program on a personal computer terminal connected to the computer network system, as the one constructed already by the present author, users can reproduce, enlarge, and reduce the observed or stored chromatograms on the screen, and can also analyze and print them.
Utility program for analysis of heat and sweat transporting process of clothes has been developed. Outline of this program is that (1) automatic correction of the data from original humidity sensors, (2) data acquisition of three kinds of sensors (three temperatures and humidities, and one heat flux) and (3) data processing for the above data; for example, the characteristic of clothes can be extracted by applying the non-linear least squares curve fitting for the humidity data.
BASIC programs can be re-written into Macros of Lotus 1-2-3Tm. This methodology may enable us to revive a lot of useful existing programs with minimum effort. The outline of the procedure is described.
A method in the schematic representation of the α helical peptide is proposed. Circles, which radii correspond to the parameters of amino acids such as hydrophobicity and partial volume, are plotted on the helical wheel or the helical net projection. The distribution of amino acids is visualized with quantitative information of the parameter.