@article{cc5b7b157b2b460cbaa0710956d26cc7,
title = "Molecular interactions between pentacene and imidazolium ionic liquids: A molecular dynamics study",
abstract = "The structural and energetic aspects of pentacene solvation in several imidazolium ionic liquids was studied by molecular dynamics simulations. The simulations revealed that the first solvation shell consists predominantly of cations and that the cationanion interactions are stronger than the pentaceneion interactions. Our results suggest that ionic liquids consisting of a long-alkyl-chain cation and a relatively less symmetric anion are expected to absorb more pentacene, owing to a weak cationanion interaction and a high total free volume.",
keywords = "Lonic liquids, Molecular dynamics, Pentacene",
author = "Prastiawan, {Ida Bagus Hendra} and Jingxiang Xu and Yusuke Ootani and Yuji Higuchi and Nobuki Ozawa and Shingo Maruyama and Yuji Matsumoto and Momoji Kubo",
note = "Funding Information: This work was supported by funding from the Exploratory Challenge on Post-K Computer (Challenge of Basic Science Exploring Extremes through Multi-Physics and Multi-Scale Simulations) project of the Ministry of Education, Culture, Sports, Science and Technology of Japan. Publisher Copyright: {\textcopyright} 2018 The Chemical Society of Japan.",
year = "2018",
doi = "10.1246/cl.180450",
language = "English",
volume = "47",
pages = "1154--1157",
journal = "Chemistry Letters",
issn = "0366-7022",
publisher = "Chemical Society of Japan",
number = "9",
}