@article{2da362dce69e401eaa8120bdfab25b13,
title = "Breaking the Isolated Pentagon Rule by Encapsulating Xe2 in C60: The Guest Defines the Shape of the Host",
abstract = "While many fullerenes obeying the isolated pentagon rule (IPR) are experimentally known, isomers which violate this rule may become accessible via endohedral encapsulation of a guest molecule. Density functional theory computations predict a lower energy of non-IPR endohedral noble gas fullerenes over IPR analogues, specifically when C60 encapsulates a Xe dimer! So, the guest defines the shape of the carbon fullerene.",
keywords = "Energy decomposition analysis, Fullerene, Isolate pentagon rule, Noble gases, Stone-Wales defect",
author = "Said Jalife and Sukanta Mondal and Cabellos, {Jos{\'e} Luis} and Sudip Pan and M{\'e}ndez-Rojas, {Miguel {\'A}ngel} and Israel Fern{\'a}ndez and Gernot Frenking and Gabriel Merino",
note = "Publisher Copyright: {\textcopyright} 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim",
year = "2016",
month = jul,
day = "1",
doi = "10.1002/slct.201600525",
language = "英语",
volume = "1",
pages = "2405--2408",
journal = "ChemistrySelect",
issn = "2365-6549",
publisher = "Wiley-Blackwell Publishing Ltd",
number = "10",
}