Technically more detailed models or in a wider context, figures, are a great important part of the chemical sciences and subsequently food technology. Resolute on the effects of cross examination has on study; of molecules and thus a number of interrelated fields and disciplines, an application program was employed to render and overcome models with uniquely provided surface densities, to two acids subjected to research and presently dealt with up until now in the making of the project. The goal of the research was to obtain molecules in silico, which remains to be seen for two fatty acids especially with surface densities, something that not all graphical interfaces can do. The method in which the models have been generated start from a Boolean search at obtaining the Simplified molecular-input line-entry system (SMILE) for the respective fatty acids. The IQmol application program system is used as required: first to calculate modelling tasks based on the graphical user interface through a remote Q-Chem job submission and then to applying a total density to finally produce a Mulliken type electro-density surface generation or potential. On conclusion, the data generated or the generated models (in other words results) from this study are valuable and it can be implicated that these can be used as a reference for the synthesis and analysis research work associated with plant derived sources. These models secure the advances of simulation as these are endowed with surface density derived from the electrostatic potential; these make it all the worthy. In summary, the presentation is more wholly conveyed; better concise and effective especially versus models that do not display surface densities.
This work was funded by 2018/31/B/NZ9/00602 project from the funds of the National Science Centre.