[K202-3am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[K202-3am-01] Spatially-Decomposed Analysis of Molecular Interactions and OH Stretching Vibrational Modes at Polymer-Water Interfaces

^○Yoshiki Ishii¹, Hajime Torii², Yuka Ikemoto³, Hitoshi Washizu¹ (1. University of Hyogo, 2. Shizuoka University, 3. JASRI)

[Lang.] Japanese

Keywords:Molecular Dynamics, Infrared Spectroscopy, Density Functional Theory, Polymer, Water