[P2-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Japanese

[P2-3pm-05] Deuterium isotope effects in the caffeine metabolism reaction investigated using multi-component density functional theory calculations

○Mebuki Fujitsuka¹, Hironao Sajiki², Keiko Maekawa³, Masanori Tachikawa⁴, Taro Udagawa¹ (1. Gifu University, 2. Aichi Institute of Technology, 3. Doshisha Women's College of Liberal Arts, 4. Yokohama City University)

Keywords:

Multi-component density functional theory,Metabolic reaction mechanism,Caffeine,Deuterated drugs