Article Per Year (5 Year)
p-Index From 2020 - 2025
8.515
P-Index
This Author published in this journals
All Journal Jurnal Pendidikan Kimia Indonesia Jurnal Pendidikan dan Pembelajaran Kimia (JPPK) Jurnal Pengelolaan Sumberdaya Alam dan Lingkungan (Journal of Natural Resources and Environmental Management) QUANTUM: Jurnal Inovasi Pendidikan Sains EDUKASI Jurnal Akademika Kimia Guru Tua : Jurnal Pendidikan dan Pembelajaran International Journal of Active Learning Abdi Dosen : Jurnal Pengabdian Pada Masyarakat Jurnal Jejaring Matematika dan Sains Jurnal Pengabdian kepada Masyarakat Nusantara Ideguru: Jurnal Karya Ilmiah Guru Jurnal Riset Pendidikan MIPA Panrannuangku Jurnal Pengabdian Masyarakat EduLine: Journal of Education and Learning Innovation Media Eksakta Jurnal Akademika Kimia Jurnal Ilmu Pendidikan Indonesia Jurnal Ilmiah Profesi Guru (JIPG) Jurnal Kreatif Online Sospendis: Jurnal Sosiologi Pendidikan dan Pendidikan IPS Jurnal Banua Oge Tadulako Journal International Journal of Teaching and Learning (INJOTEL) INTERNATIONAL JOURNAL OF SOCIETY REVIEWS (INJOSER) Jurnal Akademika Kimia Jurnal Pendidikan MIPA
Afadil
Program Studi Pendidikan Kimia, Fakultas Keguruan Dan Ilmu Pendidikan, Universitas Tadulako, Palu, Sulawesi Tengah, Indonesia
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Engineering Environmental Science Health Professions Languange, Linguistic, Communication & Media Library & Information Science Mathematics Physics Public Health Social Sciences Other

Published : 73 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search
Journal : INTERNATIONAL JOURNAL OF SOCIETY REVIEWS (INJOSER)

 1 
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

Show Abstract | Download Original | Original Source | Check in Google Scholar

Abstract

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.
Co-Authors AA Sudharmawan, AA Agustin Tiwow Agustina, Rizza R. T. Ahdiat, Mohammad Alimuddin, Chatifah Amran Rede Anang W. M. Diah Anang Wahid M.Diah Arda Arda Ardiansyah Asmita, Asmita Azzajjad, Muhammad Fath Badjeber, Rafiq Baharuddin Hamzah Catri, Ni Made Dariati Dariati Daud Karel Walanda Detris Poba Devi, Sinta Dewi Masyitha Dewi Satria Ahmar Dewi Sri Wahyuni Dia Afrianti Sangkota, Vivi Diah, Anang WM Elinich, Karen Ersa W. Lakukua Esterlina Marpaung, Meida Febryna V. Maddo Frelyana Tiro H.J, Nur Rahmadana Safitri Haeruddin Haeruddin Hajerina, Hajerina Halawa, Adrianus Hasmawati Hasmawati Indasari, Indasari Irwan Irwan Jamaludin M Sakung Kasmudin Mustapa Lilies N Tangge Linawati Linawati M. Diah, Anang Wahid Magfirah Magfirah Magfirah, Magfirah Marpaung, Meida E. Matamay, Zubair Maulidiyah, Arum Mery Napitupulu Minarni Rama Jura Minarni Rama Jura Moh. Raisul Moh. Sahril Mohammad Jamhari Mohammad Jamhari N. Tangge, Lilies N.Tangge, Lilies Narayanti, Putu Satya Ni Gusti Ayu Putu Eka Sri Wahyuni Nur Qamariya Nur Rahmah Nurjannah Nurjannah, Ida Nursupiamin Nursupiamin, Nursupiamin Nurwahyuni Pathuddin Paulus Hengky Abram Permata Fonna Pulukadang, Sri H. V. Purnama Ningsih Rabasia Rahmawat, Sitti Ramadani, Ersa Ratman Ratman Ratman Reny, Reny Reskywanti, Reskywanti Rina Andriana Riski, Fahrul Roslina Roslina, Roslina S. Ahmar, Dewi Sangkota, Vivi Dia A. Sangkota, Vivi Diah Sarmilah Sarmilah Sely Artasasta Lawongo Siti Aminah Siti Hajar Siti Nuryanti Sitti Rahmawati Sri Hastuti Virgianti Sri Hastuti Virgianti Pulukadang Sri Mulyani Sabang Sri Poedjiastoeti Suciati, Indah Suherman Suherman Suherman Suherman, Suherman Sukmawati Sukmawati Supriyatman, Supriyatman Suyono Suyono Tahril Tiro, Frelyana Tri Putri Tri Santoso Tri Santoso Tri Santoso Unggul Wahyono Wahda Nur Alisa Wahyuni H. Mailili Wildana Wildana, Wildana Windia Hadi, Windia WM Diah, Anang Yuli Nurmayanti Zulhan, Zulhan