[IGS09-1] International_Molecular dynamics 1

11:50 AM - 12:05 PM JST(2:50 AM - 3:05 AM UTC)

[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)

Keywords:

Molecular modelling,Infrared spectrum,Density of states