Journal of Chemical Software
Online ISSN : 1883-8359
Print ISSN : 0918-0761
ISSN-L : 0918-0761
Software Developments for Molecular Modeling and its Application for the Study of Structural Chemistry
Takayuki YANOShigeko OZAKIJohn T. SHIMOZAWA
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1993 Volume 1 Issue 2 Pages 73-88

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Abstract

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.

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© Society of Computer Chemistry, Japan
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