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Journal : Jurnal Penelitian Pendidikan IPA (JPPIPA)

Evaluation of the Electronic Structure Resulting from ab-initio Calculations on Simple Molecules Using the Molecular Orbital Theory Samuel E P P Masan; Fitri N Febriana; Andi H Zaidan; Ira Puspitasari; Febdian Rusydi
Jurnal Penelitian Pendidikan IPA Vol. 7 No. 1 (2021): January
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v7i1.545

Abstract

Hartree Fock (HF) and Density Functional Theory (DFT) have been commonly used to model chemical problems. This study uses the Molecular Orbital Theory (MOT) to evaluate the electronic structure of five diatomic molecules generated by HF and DFT calculations. The evaluation provides an explanation of how the orbitals of a molecule come to be and how this affects the calculation of the physical quantities of the molecule. The evaluation is obtained after comparing the orbital wave functions calculated by MOT, HF, and DFT. This study found that the nature of the Highest Occupied Molecular Orbital (HOMO) of a molecule is determined by the valence orbital properties of the constituent atoms. This HOMO property greatly influences the precision of calculating the molecular electric dipole moment. This shows the importance of understanding the orbital properties of a molecule formed from the HF and DFT calculations
Bahasa Inggris Irvan Zidny; Ira Puspitasari; Imam Yuadi
Jurnal Penelitian Pendidikan IPA Vol 9 No 8 (2023): August
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v9i8.4531

Abstract

This study presents a novel approach to assist learning analysts in identifying suitable learning pathways based on historical training data through the utilization of text mining techniques. The dataset utilized in this research comprises training data from the year 2021 and the Course Development Management Program (CDMP) catalogue. The BERT 'bert-base-nli-mean-tokens' model is employed for encoding purposes. By comparing the training data names from 2021 with the CDMP catalogue using cosine similarity and dot score, valuable insights are obtained. The findings indicate that cosine similarity is a more effective measure for interpreting the data, thereby simplifying the process for learning analysts and managers in identifying appropriate learning paths for their employees. This research provides a practical solution that leverages text mining techniques to optimize the analysis and decision-making processes in learning and development domains, enabling organizations to enhance the effectiveness and efficiency of their training programs.