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All Journal INTERNATIONAL JOURNAL OF SOCIETY REVIEWS (INJOSER)
Permata Fonna
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Social Sciences

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MOLECULAR SIMULATION FOR DESIGNING CHEMICAL REACTIONS: APPLICATION OF COMPUTATIONAL CHEMISTRY METHODS IN UNDERSTANDING REACTION MECHANISMS AND MOLECULAR DESIGN Kasmudin Mustapa; Permata Fonna; Afadil, Afadil; Ratman, Ratman; Reny, Reny
INTERNATIONAL JOURNAL OF SOCIETY REVIEWS Vol. 2 No. 2 (2024): FEBRUARY
Publisher : Adisam Publisher

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Molecular simulation, a cornerstone of computational chemistry, has revolutionized the understanding and design of chemical reactions. This study explores the application of computational chemistry methods in elucidating reaction mechanisms and guiding molecular design. Employing diverse algorithms rooted in classical and quantum mechanics, molecular simulations unravel the dynamic behavior of molecules, offering insights into spatial arrangements and temporal evolution. A comparative analysis of simulation algorithms reveals their mathematical foundations, exemplary applications, and computational costs. Standard computational modeling methods, including Density Functional Theory and molecular mechanics, strike a balance between accuracy and efficiency. Case studies demonstrate the efficacy of molecular dynamics and quantum mechanics calculations in dissecting enzymatic, organic, and gas-phase reactions. Computational methods contribute to predicting reaction pathways and mechanisms, accelerating the discovery of novel reactions. In molecular design, simulations guide conformational analysis and electronic structure predictions, culminating in successful drug discovery, materials science, and catalysis outcomes. Challenges, opportunities, and practical applications in research and industry are discussed. This study underscores the transformative role of molecular simulation in shaping the future of chemical research and molecular design.
EXPLORING THE EFFECTIVENESS OF THE BASIC CHEMISTRY LESSON APPROACH: ANALYSIS OF PERCEPTIONS AND IMPACT ON ENTRANCE TO STATE UNIVERSITIES Permata Fonna
INTERNATIONAL JOURNAL OF SOCIETY REVIEWS Vol. 2 No. 3 (2024): MARCH
Publisher : Adisam Publisher

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The study investigated the effectiveness of the Basic Chemistry Lesson Approach at State High School 5 Banda Aceh and its influence on students' perceptions and entrance to state universities. A mixed-methods research design collected and analyzed quantitative data regarding students' academic performance and qualitative data on their perceptions. The findings revealed that the Basic Chemistry Lesson Approach significantly enhanced students' understanding of chemistry concepts and positively impacted their performance in university entrance exams. Moreover, qualitative analysis demonstrated that students perceived the approach as engaging and beneficial to their learning experiences. The study highlighted the importance of innovative teaching methodologies in improving students' academic achievements and shaping their educational trajectories. The implications of these findings extended to educators, policymakers, and educational stakeholders, emphasizing the value of evidence-based instructional practices in enhancing learning outcomes in chemistry education.
Co-Authors Afadil Kasmudin Mustapa Ratman Ratman Reny, Reny