Practical Computational Chemistry Course for a Comprehensive Understanding of Organic, Inorganic, and Physical Chemistry: From Molecular Interactions to Chemical Reactions

• Nahoko Kuroki ^[1] ; Yuji Mochizuki ^[2] ; Hirotoshi Mori ^[1]
  1. [1] Chuo University

     Chuo University

     Japón

     
  2. [2] Rikkyo University

     Rikkyo University

     Japón

     
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 100, Nº 2, 2023, págs. 647-654
• Idioma: inglés
• Texto completo no disponible (Saber más ...)
• Resumen

  • In all fields of chemistry, it has become essential to use quantum chemical calculations and machine learning for explaining and predicting chemical phenomena. However, it is challenging to apply textbook knowledge to practical research. In this study, we developed teaching material based on computational chemistry to promote the integration of knowledge from all fields of chemistry, including organic, inorganic, and physical chemistry, to bridge the gap between classroom learning and chemistry research. This experimental material, which comprehensively covers weak intermolecular interactions and chemical reactions, is expected to help students conduct purposeful research activities after being assigned to a laboratory.