[IGS09-1] 国際シンポジウム_分子動力学1

11:50 〜 12:05

[IGS09-1-04] Alterations in vibrational spectra of adsorbed water in MIL-101 and functionalized MIL-101 using molecular simulations

〇Gunjan Auti¹, Jiang Hao¹, Hirofumi Daiguji¹ (1. Department of Mechanical Engineering, The University of Tokyo)

キーワード：

Molecular modelling、Infrared spectrum、Density of states