A New Visual Basic 6.0 Software Built-up For Solving-out Reduction Formula in Chemical Applications of Group Theory

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Date
2011-05-04
Authors
Rasha S. M. Sabri
Mohammad N. Assa’ad
Hikmat S. Hilal
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<p>A need for computer software to solve-out the "Reduction Formula" for different Point Groups is beyond doubt.<br /> That would save time and effort to many chemists who are involved in different aspects of chemical applications of<br /> group theory. This presentation presents a computer software that has been constructed using Visual Basic 6.0<br /> programming language. The input and output data are performed through software forms under Windows Vista<br /> environment. The software is able to perform the following functions:<br /> 1. Reducing Reducible Representations for most known Point<br /> Groups.<br /> 2. Finding Reducible Representations " red  and vib  " for Infinite Point<br /> Groups " C v and D h " and reducing them by S-L Method.<br /> 3. Finding Reducible Representation 3N  and reducing it for six<br /> chosen Point Groups "C 2v , C 3v , C 4v , D 2h , D 4h and d T ".<br /> Solutions derived from the constructed software were tested by comparison with manual standard methods,<br /> and showed complete consistency.</p>
<p>A need for computer software to solve-out the "Reduction Formula" for different Point Groups is beyond doubt.<br /> That would save time and effort to many chemists who are involved in different aspects of chemical applications of<br /> group theory. This presentation presents a computer software that has been constructed using Visual Basic 6.0<br /> programming language. The input and output data are performed through software forms under Windows Vista<br /> environment. The software is able to perform the following functions:<br /> 1. Reducing Reducible Representations for most known Point<br /> Groups.<br /> 2. Finding Reducible Representations " red  and vib  " for Infinite Point<br /> Groups " C v and D h " and reducing them by S-L Method.<br /> 3. Finding Reducible Representation 3N  and reducing it for six<br /> chosen Point Groups "C 2v , C 3v , C 4v , D 2h , D 4h and d T ".<br /> Solutions derived from the constructed software were tested by comparison with manual standard methods,<br /> and showed complete consistency.</p>
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