Open AccessStructure, Energetics and Vibrational Frequency Shifts of Water Molecules Confined Inside Single-walled Carbon Nanotubes：A DFT Study
Author(s) -
Xinhua Wang,
Feng Li,
Zexing Cao
Publication year - 2014
Publication title -
huaxue xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.565
H-Index - 40
ISSN - 0567-7351
DOI - 10.6023/a13121223
Subject(s) - chemistry , energetics , carbon nanotube , molecule , chemical physics , computational chemistry , molecular physics , carbon fibers , molecular vibration , nanotechnology , thermodynamics , organic chemistry , materials science , physics , composite number , composite material